Exact Mass: 592.3036024

Mesobilirubinogen

C33H44N4O6 (592.3260683999999)

Mesobilirubinogen (also known as I-urobilinogen) is a tetrapyrrole chemical compound that is closely related to two other compounds: urobilinogen (also known as D-urobilinogen) and stercobilinogen (also known as L-urobilinogen). Specifically, urobilinogen can be reduced to form mesobilirubinogen, and mesobilirubinogen can be further reduced to form stercobilinogen. Confusingly, all three of these compounds are frequently collectively referred to as "urobilinogens". Urobilinogen is the parent compound of both stercobilin (the pigment that is responsible for the brown colour of feces) and urobilin (the pigment that is responsible for the yellow colour of urine). Urobilinogen is formed through the microbial degradation of its parent compound bilirubin. Urobilinogen is actually generated through the degradation of heme, the red pigment in hemoglobin and red blood cells (RBCs). RBCs have a life span of about 120 days. When the RBCs have reached the end of their useful lifespan, the cells are engulfed by macrophages and their constituents recycled or disposed of. Heme is broken down when the heme ring is opened by the enzyme known as heme oxygenase, which is found in the endoplasmic reticulum of the macrophages. The oxidation process produces the linear tetrapyrrole known as biliverdin along with ferric iron (Fe3+), and carbon monoxide (CO). In the next reaction, a second methylene group (located between rings III and IV of the porphyrin ring) is reduced by the enzyme known as biliverdin reductase, producing bilirubin. Bilirubin is significantly less extensively conjugated than biliverdin. This reduction causes a change in the colour of the biliverdin molecule from blue-green (vert or verd for green) to yellow-red, which is the colour of bilirubin (ruby or rubi for red). In plasma, virtually all the bilirubin is tightly bound to plasma proteins, largely albumin, because it is only sparingly soluble in aqueous solutions at physiological pH. In the sinusoids, unconjugated bilirubin dissociates from albumin, enters the liver cells across the cell membrane through non-ionic diffusion to the smooth endoplasmatic reticulum. In hepatocytes, bilirubin-UDP-glucuronyltransferase (bilirubin-UGT) adds 2 additional glucuronic acid molecules to bilirubin to produce the more water-soluble version of the molecule known as bilirubin diglucuronide. The bilirubin diglucuronide is transferred rapidly across the canalicular membrane into the bile canaliculi where it is then excreted as bile into the large intestine. The bilirubin is further degraded (reduced) by microbes present in the large intestine to form a colourless product known as urobilinogen. Urobilinogen that remains in the colon can either be reduced to stercobilinogen and finally oxidized to stercobilin, or it can be directly reduced to stercobilin. Some of the urobilinogen produced by the gut bacteria is reabsorbed and re-enters the enterohepatic circulation. This reabsorbed urobilinogen is oxidized and converted to urobilin. The urobilin is processed through the kidneys and then excreted in the urine, which causes the yellowish colour in urine. Urobilinogen is an uribiniloid, the product of bilirubin reduction in multiple sequential reactions. Urobilinogens are colorless chromogens that may in turn be oxidized to respective yellow oxidation products, urobilins. Under normal conditions only small amounts of bilirubin can be found in stools of adults while urobilinoids are predominant bile pigments (50-250 mg/day). Only negligible amounts of fecal urobilinoids are present in the intestinal lumen of infants during the first months of their life, due to undeveloped intestinal microflora capable of reducing bilirubin. This presumably contributes importantly to the pathogenesis of neonatal jaundice. In adults, the urobilinoid production is highly efficient. At times, it is re-excreted in the urine, where it may be later oxidized to urobilin. (PMID: 16504607) [HMDB]

Debromoaplysiatoxin

C32H48O10 (592.3247308)

A member of the class of aplysiatoxins that has the structure of the parent aplysiatoxin, but is lacking the bromo substituent on the benzene ring at the position para to the phenolic hydroxy group. It is a cyanotoxin produced by several species of freshwater and marine cyanobacteria, as well as algae and molluscs. D009676 - Noxae > D011042 - Poisons > D008235 - Lyngbya Toxins D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins D009676 - Noxae > D002273 - Carcinogens

Pheophorbide a

C35H36N4O5 (592.2685566)

D011838 - Radiation-Sensitizing Agents Pheophorbide A is an intermediate product in the chlorophyll degradation pathway and can be used as a photosensitizer. Pheophorbide A acts as a lymphovascular activator with antitumor activity[1]. Pheophorbide a. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=15664-29-6 (retrieved 2024-08-21) (CAS RN: 15664-29-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Aplysiatoxin, 17-debromo-

C32H48O10 (592.3247308)

3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate

C28H53N2O7PS (592.3310918)

D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors

FP-biotin

C27H50FN4O5PS (592.3223392)

Hexobendine

C30H44N2O10 (592.2995804)

C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents

Pheophorbide a

C35H36N4O5 (592.2685566)

Plazomicin

C25H48N6O10 (592.3431747999999)

UROBILINOGEN

C33H44N4O6 (592.3260683999999)

Ajugamacrin B

C31H44O11 (592.2883474)

Junceol G

C31H44O11 (592.2883474)

Scortechinone F

C34H40O9 (592.2672190000001)

Moreollic acid

C34H40O9 (592.2672190000001)

Junceol F

C31H44O11 (592.2883474)

Blepharocalyxin D

C38H40O6 (592.2824740000001)

Dendroside D

C27H44O14 (592.2730924)

Isomoreollic acid

C34H40O9 (592.2672190000001)

3-O-Acetyl-adonitoxin, Adonitoxigenin-(3-O-acetyl-rhamnopyranosid)|3-O-Acetyl-adonitoxin, Adonitoxigenin-<3-O-acetyl-rhamnopyranosid>

C31H44O11 (592.2883474)

ERGMT

C22H40N8O9S (592.2638830000001)

14,16-Diepimer-i-Urobilinogen

C33H44N4O6 (592.3260683999999)

3-[(6-deoxy-3-o-methylhexopyranosyl)oxy]-5,14,16-trihydroxy-19-oxobufa-20,22-dienolide

C31H44O11 (592.2883474)

Neritaloside

C32H48O10 (592.3247308)

Neritaloside is a natural product found in Mandevilla pentlandiana and Nerium oleander with data available.

Arguayoside|Taucidoside

C31H44O11 (592.2883474)

Ajugamarin B2|ajugamarin B2 ((12S)-6alpha,12,19-triacetoxy-1beta-<(2S)-2-methylbutanoyloxy>-4,18-epoxyneo-clerod-13(14)-en-15,16-olide)|ajugamarin B2 [(12S)-6alpha,12,19-triacetoxy-1beta-((2S)-2-methylbutanoyloxy)-4,18-epoxyneo-clerod-13(14)-en-15,16-olide]

C31H44O11 (592.2883474)

5alpha-acetoxy-4alpha-hydroxykleinifulgin

C32H48O10 (592.3247308)

TRI-O-ACETYL-ACOVENOSIDE A

C32H48O10 (592.3247308)

C32H48O10

C32H48O10 (592.3247308)

2-{[5,7-dihydroxy-2,2-dimethyl-6-butanoyl-8-chromenyl]methyl}-3,5-dihydroxy-4-methyl-4-(3,7-dimethyl-2,6-octadienyl)-6-acetyl-2,5-cyclohexadien-1-one|yungensin F

C35H44O8 (592.3036024)

ajudazol B

C34H44N2O7 (592.3148354)

ingenol-3-angelate-17-benzoate-20-acetate

C34H40O9 (592.2672190000001)

Coclobine

C37H40N2O5 (592.293707)

Euphoppin A

C31H44O11 (592.2883474)

15alpha-hydroxyfoetidinol-3-O-beta-xyloside|cimicifugoside H-6

C32H48O10 (592.3247308)

marstenacigenin B

C35H44O8 (592.3036024)

galphimine J

C32H48O10 (592.3247308)

28-hydroxyfoetidinol-3-O-beta-D-xylopyranoside

C32H48O10 (592.3247308)

15beta-hydroxycalactinic acid ethyl ester

C31H44O11 (592.2883474)

1-O-benzoyl-17-defurano-17-(2-buten-4-olide-2-yl)salannic acid methyl ester|1-O-decinnamoyl-1-O-benzoylohchininolide

C34H40O9 (592.2672190000001)

C34H40O9

C34H40O9 (592.2672190000001)

C36H48O7

C36H48O7 (592.3399858)

26-Sulfate-(3beta,5alpha,6beta,15alpha,16beta,24R,25R)-Stigmastane-3,5,6,15,16,25,26-heptol

C29H52O10S (592.3281012)

glaucacetalin C

C32H48O10 (592.3247308)

Compositin

C36H48O7 (592.3399858)

3-acetoxy-5-O-angeloyl-17-O-benzoylingenol

C34H40O9 (592.2672190000001)

2-{[5,7-dihydroxy-2,2-dimethyl-8-butanoyl-6-chromenyl]methyl}-3,5-dihydroxy-4-methyl-4-(3,7-dimethyl-2,6-octadienyl)-6-acetyl-2,5-cyclohexadien-1-one|yungensin A

C35H44O8 (592.3036024)

13alpha-acetoxy-3-O-angeloyl-17-benzoyloxyingenol

C34H40O9 (592.2672190000001)

Depsidellin B

C35H44O8 (592.3036024)

1alpha-(alpha-methyl)-butanoyloxy-2alpha-(alpha-methyl)-propanoyloxy-4beta-hydroxy-9beta-(beta-)furoyloxy-15-acetoxy-beta-dihydroagarofuran|1??-(??-Methyl)-butanoyl-2??-(??-methyl)-propynoyloxy-4??-hydroxy-9??-(??-)furoyloxy-15-acetoxy-??-dihydroagarofuran

C31H44O11 (592.2883474)

Berbamine

C37H40N2O5 (592.293707)

C34H36N6O4

C34H36N6O4 (592.2797896)

junceol A

C31H44O11 (592.2883474)

Ser Glu Val Lys Met

C24H44N6O9S (592.2890334)

Tyr Pro Thr Val Asn

C27H40N6O9 (592.285663)

Dronedarone hydrochloride

C31H45ClN2O5S (592.273755)

C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent

(2S,3R,4S,5S,6R)-2-[4,6-dihydroxy-2-nonyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C27H44O14 (592.2730924)

2-[3-(6-acetyloxy-2-hydroxy-6-methyl-3-oxoheptan-2-yl)-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid

C32H48O10 (592.3247308)

[(2R,3R,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate

C28H48O13 (592.3094758)

(2S,3R,4S,5S,6R)-2-[4,6-dihydroxy-2-nonyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000847345]

C27H44O14 (592.2730924)

[(2R,3R,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate [IIN-based: Match]

C28H48O13 (592.3094758)

[(2R,3R,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate [IIN-based on: CCMSLIB00000848201]

C28H48O13 (592.3094758)

[(2R,3R,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate [IIN-based on: CCMSLIB00000848200]

C28H48O13 (592.3094758)

(2S,3R,4S,5S,6R)-2-[4,6-dihydroxy-2-nonyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]

C27H44O14 (592.2730924)

2-[3-(6-acetyloxy-2-hydroxy-6-methyl-3-oxoheptan-2-yl)-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid [IIN-based: Match]

C32H48O10 (592.3247308)

UROBILINOGEN

C33H44N4O6 (592.3260683999999)

A member of the class of bilanes that is a colourless product formed in the intestine by the reduction of bilirubin.

Asp Phe Arg Arg

C25H40N10O7 (592.308129)

Asp Arg Phe Arg

C25H40N10O7 (592.308129)

Asp Arg Arg Phe

C25H40N10O7 (592.308129)

Glu Lys Met Trp

C27H40N6O7S (592.267905)

Glu Lys Trp Met

C27H40N6O7S (592.267905)

Glu Met Lys Trp

C27H40N6O7S (592.267905)

Glu Met Trp Lys

C27H40N6O7S (592.267905)

Glu Trp Lys Met

C27H40N6O7S (592.267905)

Glu Trp Met Lys

C27H40N6O7S (592.267905)

Phe Asp Arg Arg

C25H40N10O7 (592.308129)

Phe Ile Lys Trp

C32H44N6O5 (592.3373014)

Phe Ile Gln Trp

C31H40N6O6 (592.300918)

Phe Ile Trp Lys

C32H44N6O5 (592.3373014)

Phe Ile Trp Gln

C31H40N6O6 (592.300918)

Phe Lys Ile Trp

C32H44N6O5 (592.3373014)

Phe Lys Leu Trp

C32H44N6O5 (592.3373014)

Phe Lys Trp Ile

C32H44N6O5 (592.3373014)

Phe Lys Trp Leu

C32H44N6O5 (592.3373014)

Phe Leu Lys Trp

C32H44N6O5 (592.3373014)

Phe Leu Gln Trp

C31H40N6O6 (592.300918)

Phe Leu Trp Lys

C32H44N6O5 (592.3373014)

Phe Leu Trp Gln

C31H40N6O6 (592.300918)

Phe Gln Ile Trp

C31H40N6O6 (592.300918)

Phe Gln Leu Trp

C31H40N6O6 (592.300918)

Phe Gln Trp Ile

C31H40N6O6 (592.300918)

Phe Gln Trp Leu

C31H40N6O6 (592.300918)

Phe Arg Asp Arg

C25H40N10O7 (592.308129)

Phe Arg Arg Asp

C25H40N10O7 (592.308129)

Phe Trp Ile Lys

C32H44N6O5 (592.3373014)

Phe Trp Ile Gln

C31H40N6O6 (592.300918)

Phe Trp Lys Ile

C32H44N6O5 (592.3373014)

Phe Trp Lys Leu

C32H44N6O5 (592.3373014)

Phe Trp Leu Lys

C32H44N6O5 (592.3373014)

Phe Trp Leu Gln

C31H40N6O6 (592.300918)

Phe Trp Gln Ile

C31H40N6O6 (592.300918)

Phe Trp Gln Leu

C31H40N6O6 (592.300918)

Ile Phe Lys Trp

C32H44N6O5 (592.3373014)

Ile Phe Gln Trp

C31H40N6O6 (592.300918)

Ile Phe Trp Lys

C32H44N6O5 (592.3373014)

Ile Phe Trp Gln

C31H40N6O6 (592.300918)

Ile Lys Phe Trp

C32H44N6O5 (592.3373014)

Ile Lys Trp Phe

C32H44N6O5 (592.3373014)

Ile Gln Phe Trp

C31H40N6O6 (592.300918)

Ile Gln Trp Phe

C31H40N6O6 (592.300918)

Ile Trp Phe Lys

C32H44N6O5 (592.3373014)

Ile Trp Phe Gln

C31H40N6O6 (592.300918)

Ile Trp Lys Phe

C32H44N6O5 (592.3373014)

Ile Trp Gln Phe

C31H40N6O6 (592.300918)

Lys Glu Met Trp

C27H40N6O7S (592.267905)

Lys Glu Trp Met

C27H40N6O7S (592.267905)

Lys Phe Ile Trp

C32H44N6O5 (592.3373014)

Lys Phe Leu Trp

C32H44N6O5 (592.3373014)

Lys Phe Trp Ile

C32H44N6O5 (592.3373014)

Lys Phe Trp Leu

C32H44N6O5 (592.3373014)

Lys Ile Phe Trp

C32H44N6O5 (592.3373014)

Lys Ile Trp Phe

C32H44N6O5 (592.3373014)

Lys Leu Phe Trp

C32H44N6O5 (592.3373014)

Lys Leu Trp Phe

C32H44N6O5 (592.3373014)

Lys Met Glu Trp

C27H40N6O7S (592.267905)

Lys Met Trp Glu

C27H40N6O7S (592.267905)

Lys Pro Trp Tyr

C31H40N6O6 (592.300918)

Lys Pro Tyr Trp

C31H40N6O6 (592.300918)

Lys Trp Glu Met

C27H40N6O7S (592.267905)

Lys Trp Phe Ile

C32H44N6O5 (592.3373014)

Lys Trp Phe Leu

C32H44N6O5 (592.3373014)

Lys Trp Ile Phe

C32H44N6O5 (592.3373014)

Lys Trp Leu Phe

C32H44N6O5 (592.3373014)

Lys Trp Met Glu

C27H40N6O7S (592.267905)

Lys Trp Pro Tyr

C31H40N6O6 (592.300918)

Lys Trp Tyr Pro

C31H40N6O6 (592.300918)

Lys Tyr Pro Trp

C31H40N6O6 (592.300918)

Lys Tyr Trp Pro

C31H40N6O6 (592.300918)

Leu Phe Lys Trp

C32H44N6O5 (592.3373014)

Leu Phe Gln Trp

C31H40N6O6 (592.300918)

Leu Phe Trp Lys

C32H44N6O5 (592.3373014)

Leu Phe Trp Gln

C31H40N6O6 (592.300918)

Leu Lys Phe Trp

C32H44N6O5 (592.3373014)

Leu Lys Trp Phe

C32H44N6O5 (592.3373014)

Leu Gln Phe Trp

C31H40N6O6 (592.300918)

Leu Gln Trp Phe

C31H40N6O6 (592.300918)

Leu Trp Phe Lys

C32H44N6O5 (592.3373014)

Leu Trp Phe Gln

C31H40N6O6 (592.300918)

Leu Trp Lys Phe

C32H44N6O5 (592.3373014)

Leu Trp Gln Phe

C31H40N6O6 (592.300918)

Met Glu Lys Trp

C27H40N6O7S (592.267905)

Met Glu Trp Lys

C27H40N6O7S (592.267905)

Met Lys Glu Trp

C27H40N6O7S (592.267905)

Met Lys Trp Glu

C27H40N6O7S (592.267905)

Met Met Arg Arg

C22H44N10O5S2 (592.2937414)

Met Arg Met Arg

C22H44N10O5S2 (592.2937414)

Met Arg Arg Met

C22H44N10O5S2 (592.2937414)

Met Arg Thr Trp

C26H40N8O6S (592.2791380000001)

Met Arg Trp Thr

C26H40N8O6S (592.2791380000001)

Met Thr Arg Trp

C26H40N8O6S (592.2791380000001)

Met Thr Trp Arg

C26H40N8O6S (592.2791380000001)

Met Trp Glu Lys

C27H40N6O7S (592.267905)

Met Trp Lys Glu

C27H40N6O7S (592.267905)

Met Trp Arg Thr

C26H40N8O6S (592.2791380000001)

Met Trp Thr Arg

C26H40N8O6S (592.2791380000001)

Pro Lys Trp Tyr

C31H40N6O6 (592.300918)

Pro Lys Tyr Trp

C31H40N6O6 (592.300918)

Pro Gln Trp Tyr

C30H36N6O7 (592.2645345999999)

Pro Gln Tyr Trp

C30H36N6O7 (592.2645345999999)

Pro Trp Lys Tyr

C31H40N6O6 (592.300918)

Pro Trp Gln Tyr

C30H36N6O7 (592.2645345999999)

Pro Trp Tyr Lys

C31H40N6O6 (592.300918)

Pro Trp Tyr Gln

C30H36N6O7 (592.2645345999999)

Pro Tyr Lys Trp

C31H40N6O6 (592.300918)

Pro Tyr Gln Trp

C30H36N6O7 (592.2645345999999)

Pro Tyr Trp Lys

C31H40N6O6 (592.300918)

Pro Tyr Trp Gln

C30H36N6O7 (592.2645345999999)

Gln Phe Ile Trp

C31H40N6O6 (592.300918)

Gln Phe Leu Trp

C31H40N6O6 (592.300918)

Gln Phe Trp Ile

C31H40N6O6 (592.300918)

Gln Phe Trp Leu

C31H40N6O6 (592.300918)

Gln Ile Phe Trp

C31H40N6O6 (592.300918)

Gln Ile Trp Phe

C31H40N6O6 (592.300918)

Gln Leu Phe Trp

C31H40N6O6 (592.300918)

Gln Leu Trp Phe

C31H40N6O6 (592.300918)

Gln Pro Trp Tyr

C30H36N6O7 (592.2645345999999)

Gln Pro Tyr Trp

C30H36N6O7 (592.2645345999999)

Gln Trp Phe Ile

C31H40N6O6 (592.300918)

Gln Trp Phe Leu

C31H40N6O6 (592.300918)

Gln Trp Ile Phe

C31H40N6O6 (592.300918)

Gln Trp Leu Phe

C31H40N6O6 (592.300918)

Gln Trp Pro Tyr

C30H36N6O7 (592.2645345999999)

Gln Trp Tyr Pro

C30H36N6O7 (592.2645345999999)

Gln Tyr Pro Trp

C30H36N6O7 (592.2645345999999)

Gln Tyr Trp Pro

C30H36N6O7 (592.2645345999999)

Arg Asp Phe Arg

C25H40N10O7 (592.308129)

Arg Asp Arg Phe

C25H40N10O7 (592.308129)

Arg Phe Asp Arg

C25H40N10O7 (592.308129)

Arg Phe Arg Asp

C25H40N10O7 (592.308129)

Arg Met Met Arg

C22H44N10O5S2 (592.2937414)

Arg Met Arg Met

C22H44N10O5S2 (592.2937414)

Arg Met Thr Trp

C26H40N8O6S (592.2791380000001)

Arg Met Trp Thr

C26H40N8O6S (592.2791380000001)

Arg Arg Asp Phe

C25H40N10O7 (592.308129)

Arg Arg Phe Asp

C25H40N10O7 (592.308129)

Arg Arg Met Met

C22H44N10O5S2 (592.2937414)

Arg Arg Val Tyr

C26H44N10O6 (592.3445124)

Arg Arg Tyr Val

C26H44N10O6 (592.3445124)

Arg Thr Met Trp

C26H40N8O6S (592.2791380000001)

Arg Thr Trp Met

C26H40N8O6S (592.2791380000001)

Arg Val Arg Tyr

C26H44N10O6 (592.3445124)

Arg Val Tyr Arg

C26H44N10O6 (592.3445124)

Arg Trp Met Thr

C26H40N8O6S (592.2791380000001)

Arg Trp Thr Met

C26H40N8O6S (592.2791380000001)

Arg Tyr Arg Val

C26H44N10O6 (592.3445124)

Arg Tyr Val Arg

C26H44N10O6 (592.3445124)

Ramipril glucuronide

C29H40N2O11 (592.263197)

Thr Met Arg Trp

C26H40N8O6S (592.2791380000001)

Thr Met Trp Arg

C26H40N8O6S (592.2791380000001)

Thr Arg Met Trp

C26H40N8O6S (592.2791380000001)

Thr Arg Trp Met

C26H40N8O6S (592.2791380000001)

Thr Thr Trp Trp

C30H36N6O7 (592.2645345999999)

Thr Trp Met Arg

C26H40N8O6S (592.2791380000001)

Thr Trp Arg Met

C26H40N8O6S (592.2791380000001)

Thr Trp Thr Trp

C30H36N6O7 (592.2645345999999)

Thr Trp Trp Thr

C30H36N6O7 (592.2645345999999)

Val Arg Arg Tyr

C26H44N10O6 (592.3445124)

Val Arg Tyr Arg

C26H44N10O6 (592.3445124)

Val Tyr Arg Arg

C26H44N10O6 (592.3445124)

Trp Glu Lys Met

C27H40N6O7S (592.267905)

Trp Glu Met Lys

C27H40N6O7S (592.267905)

Trp Phe Ile Lys

C32H44N6O5 (592.3373014)

Trp Phe Ile Gln

C31H40N6O6 (592.300918)

Trp Phe Lys Ile

C32H44N6O5 (592.3373014)

Trp Phe Lys Leu

C32H44N6O5 (592.3373014)

Trp Phe Leu Lys

C32H44N6O5 (592.3373014)

Trp Phe Leu Gln

C31H40N6O6 (592.300918)

Trp Phe Gln Ile

C31H40N6O6 (592.300918)

Trp Phe Gln Leu

C31H40N6O6 (592.300918)

Trp Ile Phe Lys

C32H44N6O5 (592.3373014)

Trp Ile Phe Gln

C31H40N6O6 (592.300918)

Trp Ile Lys Phe

C32H44N6O5 (592.3373014)

Trp Ile Gln Phe

C31H40N6O6 (592.300918)

Trp Lys Glu Met

C27H40N6O7S (592.267905)

Trp Lys Phe Ile

C32H44N6O5 (592.3373014)

Trp Lys Phe Leu

C32H44N6O5 (592.3373014)

Trp Lys Ile Phe

C32H44N6O5 (592.3373014)

Trp Lys Leu Phe

C32H44N6O5 (592.3373014)

Trp Lys Met Glu

C27H40N6O7S (592.267905)

Trp Lys Pro Tyr

C31H40N6O6 (592.300918)

Trp Lys Tyr Pro

C31H40N6O6 (592.300918)

Trp Leu Phe Lys

C32H44N6O5 (592.3373014)

Trp Leu Phe Gln

C31H40N6O6 (592.300918)

Trp Leu Lys Phe

C32H44N6O5 (592.3373014)

Trp Leu Gln Phe

C31H40N6O6 (592.300918)

Trp Met Glu Lys

C27H40N6O7S (592.267905)

Trp Met Lys Glu

C27H40N6O7S (592.267905)

Trp Met Arg Thr

C26H40N8O6S (592.2791380000001)

Trp Met Thr Arg

C26H40N8O6S (592.2791380000001)

Trp Pro Lys Tyr

C31H40N6O6 (592.300918)

Trp Pro Gln Tyr

C30H36N6O7 (592.2645345999999)

Trp Pro Tyr Lys

C31H40N6O6 (592.300918)

Trp Pro Tyr Gln

C30H36N6O7 (592.2645345999999)

Trp Gln Phe Ile

C31H40N6O6 (592.300918)

Trp Gln Phe Leu

C31H40N6O6 (592.300918)

Trp Gln Ile Phe

C31H40N6O6 (592.300918)

Trp Gln Leu Phe

C31H40N6O6 (592.300918)

Trp Gln Pro Tyr

C30H36N6O7 (592.2645345999999)

Trp Gln Tyr Pro

C30H36N6O7 (592.2645345999999)

Trp Arg Met Thr

C26H40N8O6S (592.2791380000001)

Trp Arg Thr Met

C26H40N8O6S (592.2791380000001)

Trp Thr Met Arg

C26H40N8O6S (592.2791380000001)

Trp Thr Arg Met

C26H40N8O6S (592.2791380000001)

Trp Thr Thr Trp

C30H36N6O7 (592.2645345999999)

Trp Thr Trp Thr

C30H36N6O7 (592.2645345999999)

Trp Trp Thr Thr

C30H36N6O7 (592.2645345999999)

Trp Tyr Lys Pro

C31H40N6O6 (592.300918)

Trp Tyr Pro Lys

C31H40N6O6 (592.300918)

Trp Tyr Pro Gln

C30H36N6O7 (592.2645345999999)

Trp Tyr Gln Pro

C30H36N6O7 (592.2645345999999)

Tyr Lys Pro Trp

C31H40N6O6 (592.300918)

Tyr Lys Trp Pro

C31H40N6O6 (592.300918)

Tyr Pro Lys Trp

C31H40N6O6 (592.300918)

Tyr Pro Gln Trp

C30H36N6O7 (592.2645345999999)

Tyr Pro Trp Lys

C31H40N6O6 (592.300918)

Tyr Pro Trp Gln

C30H36N6O7 (592.2645345999999)

Tyr Gln Pro Trp

C30H36N6O7 (592.2645345999999)

Tyr Gln Trp Pro

C30H36N6O7 (592.2645345999999)

Tyr Trp Lys Pro

C31H40N6O6 (592.300918)

Tyr Trp Pro Lys

C31H40N6O6 (592.300918)

Tyr Trp Pro Gln

C30H36N6O7 (592.2645345999999)

Tyr Trp Gln Pro

C30H36N6O7 (592.2645345999999)

SEVKM

C24H44N6O9S (592.2890334)

YPTVN

C27H40N6O9 (592.285663)

PI(18:4(6Z,9Z,12Z,15Z)/0:0)

C27H45O12P (592.26485)

3-(?-D-Glucopyranosyloxy)-4,6-dihydroxy-2-nonylphenyl ?-D-glucopyranoside

C27H44O14 (592.2730924)

LPI 18:4

C27H45O12P (592.26485)

OHHdiA-PA

C28H49O11P (592.3012334)

Colocynthenin F

C32H48O10 (592.3247308)

benzene-1,3-dicarboxylic acid,2-ethyl-2-(hydroxymethyl)propane-1,3-diol,hexanedioic acid,2,2,4-trimethylpentane-1,3-diol

C28H48O13 (592.3094758)

4,4-Bis(9-ethyl-3-carbazovinylene)-1,1-biphenyl

C44H36N2 (592.2878336)

2-Pyrrolidinyl Desmorpholinylrocuronium Bromide

C32H53BrN2O3 (592.3239328)

barium myristate

C28H54BaO4 (592.3074244)

Mal-amido-PEG8-acid

C26H44N2O13 (592.2843254)

4-Methylumbelliferyl 6-thio-Palmitate-β-D-Glucopyranoside

C32H48O8S (592.3069728)

(R)-3,3-Bis(2,4,6-trimethylphenyl)-5,5,6,6,7,7,8,8-octahydro-1,1-bi-2-naphthyl Hydrogen Phosphate

C38H41O4P (592.2742316)

2-[2-[3-[2-(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2-(phenylthio)-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-3H-indolium chloride

C38H41ClN2S (592.2678816000001)

Plazomicin

C25H48N6O10 (592.3431747999999)

J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01G - Aminoglycoside antibacterials D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D005839 - Gentamicins C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic

Sparsentan

C32H40N4O5S (592.271927)

C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C66930 - Angiotensin II Receptor Antagonist C28313 - Endothelin Receptor Antagonist > C28334 - Endothelin Receptor Type A Antagonist Sparsentan (RE-021) is a highly potent dual angiotensin II and endothelin A receptor antagonist with Kis of 0.8 and 9.3 nM, respectively[1].

Ulimorelin hydrochloride

C30H42ClFN4O5 (592.2827604)

C78276 - Agent Affecting Digestive System or Metabolism

N-(R-Carboxy-ethyl)-alpha-(S)-(2-phenylethyl)

C37H44N4O3 (592.3413234)

hexobendine

C30H44N2O10 (592.2995804)

C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents

3-(16-Ethenyl-11-ethyl-4-hydroxy-3-methoxycarbonyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl)propanoic acid

C35H36N4O5 (592.2685566)

17-Debromoaplysiatoxin

C32H48O10 (592.3247308)

D009676 - Noxae > D011042 - Poisons > D008235 - Lyngbya Toxins D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins D009676 - Noxae > D002273 - Carcinogens

3-[(21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-3-methoxycarbonyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid

C35H36N4O5 (592.2685566)

3-[8,13-Bis(ethenyl)-18-(1-hydroxy-3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid

C35H36N4O5 (592.2685566)

3-[(11E,12R,21S,22S)-16-ethenyl-11-ethylidene-4-hydroxy-3-methoxycarbonyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,13,15(24),16,18,20(23)-decaen-22-yl]propanoic acid

C35H36N4O5 (592.2685566)

Yungensin F

C35H44O8 (592.3036024)

A natural product found in Elaphoglossum yungense.

Yungensin A

C35H44O8 (592.3036024)

A natural product found in Elaphoglossum yungense.

Competence and sporulation factor

C22H40N8O9S (592.2638830000001)

S-(9Z-hexadecenoyl)-4-phosphopantetheine

C27H49N2O8PS-2 (592.2947084)

4-[[[(2S,3R)-9-[[(4-fluoroanilino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid

C32H37FN4O6 (592.2696994)

N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide

C36H40N4O4 (592.30494)

N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide

C36H40N4O4 (592.30494)

N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide

C36H40N4O4 (592.30494)

N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide

C36H40N4O4 (592.30494)

4-[[[(2S,3R)-9-[[(4-fluoroanilino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid

C32H37FN4O6 (592.2696994)

4-[[[(2S,3S)-9-[[(4-fluoroanilino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid

C32H37FN4O6 (592.2696994)

N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide

C36H40N4O4 (592.30494)

4-(dimethylamino)-N-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide

C29H41FN4O6S (592.2730698)

4-(dimethylamino)-N-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide

C29H41FN4O6S (592.2730698)

4-(dimethylamino)-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide

C31H43F3N4O4 (592.3236234)

2-[[(5S,6R,9R)-14-[[(2-fluoroanilino)-oxomethyl]amino]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-8-yl]methyl]benzoic acid

C32H37FN4O6 (592.2696994)

4-[[[(2R,3S)-9-[[(4-fluoroanilino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid

C32H37FN4O6 (592.2696994)

4-[[[(2R,3R)-9-[[(4-fluoroanilino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid

C32H37FN4O6 (592.2696994)

4-[[[(2R,3R)-9-[[(4-fluoroanilino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid

C32H37FN4O6 (592.2696994)

4-(dimethylamino)-N-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide

C29H41FN4O6S (592.2730698)

N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide

C27H40N6O7S (592.267905)

N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide

C36H40N4O4 (592.30494)

N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide

C36H40N4O4 (592.30494)

4-(dimethylamino)-N-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide

C29H41FN4O6S (592.2730698)

4-(dimethylamino)-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide

C31H43F3N4O4 (592.3236234)

2-[[(5R,6S,9R)-14-[[(2-fluoroanilino)-oxomethyl]amino]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-8-yl]methyl]benzoic acid

C32H37FN4O6 (592.2696994)

2-[[(5S,6R,9S)-14-[[(2-fluoroanilino)-oxomethyl]amino]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-8-yl]methyl]benzoic acid

C32H37FN4O6 (592.2696994)

2-[hydroxy-[(2R)-3-hydroxy-2-[(Z)-7-[(1R,4S,5R,6R)-6-[(E,3S)-3-hydroxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hept-5-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

C28H51NO10P+ (592.3250416)

2-[hydroxy-[(2R)-3-hydroxy-2-[(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

C28H51NO10P+ (592.3250416)

methyl 3-[(17S,18R)-8,13-bis(ethenyl)-17-hydroxy-3,7,12,17-tetramethyl-5-oxospiro[22,23-dihydroporphyrin-18,2-oxolane]-2-yl]propanoate

C35H36N4O5 (592.2685566)

[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate

C27H45O12P (592.26485)

[1-hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate

C29H53O10P (592.3376168)

[1-[(2-hexanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate

C29H53O10P (592.3376168)

[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (11Z,14Z)-henicosa-11,14-dienoate

C29H53O10P (592.3376168)

[1-[(2-butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (9Z,12Z)-nonadeca-9,12-dienoate

C29H53O10P (592.3376168)

[1-hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate

C29H53O10P (592.3376168)

[1-[(2-heptanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (9Z,12Z)-hexadeca-9,12-dienoate

C29H53O10P (592.3376168)

[1-butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (9Z,12Z)-nonadeca-9,12-dienoate

C29H53O10P (592.3376168)

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hexanoyloxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate

C29H53O10P (592.3376168)

[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (11Z,14Z)-henicosa-11,14-dienoate

C29H53O10P (592.3376168)

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate

C29H53O10P (592.3376168)

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-heptanoyloxypropan-2-yl] (9Z,12Z)-hexadeca-9,12-dienoate

C29H53O10P (592.3376168)

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate

C29H53O10P (592.3376168)

2-[3-(6-acetyloxy-2-hydroxy-6-methyl-3-oxoheptan-2-yl)-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid

C32H48O10 (592.3247308)

[(2R,3R,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate

C28H48O13 (592.3094758)

(2S,3R,4S,5S,6R)-2-[4,6-dihydroxy-2-nonyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C27H44O14 (592.2730924)

(E)-N-[(2E,6E,8E)-11-[4-[(2S)-2-[(3S,4R)-4,8-dihydroxy-7-methyl-1-oxo-3,4-dihydroisochromen-3-yl]propyl]-1,3-oxazol-2-yl]dodeca-2,6,8-trienyl]-3-methoxy-N-methylbut-2-enamide

C34H44N2O7 (592.3148354)

Glu-Arg-Gly-Met-Thr

C22H40N8O9S (592.2638830000001)

A pentapeptide composed of L-glutamic acid, L-arginine, glycine, L-methionine, and L-threonine joined in sequence by peptide linkages.

DGMG 12:3

C27H44O14 (592.2730924)

SQMG 19:3

C28H48O11S (592.2917178)

DGGA 22:6

C31H44O11 (592.2883474)

MGGA 23:6

C32H48O10 (592.3247308)

PA O-18:0/8:3;O3

C29H53O10P (592.3376168)

PA O-26:3;O3

C29H53O10P (592.3376168)

PA P-18:0/8:2;O3

C29H53O10P (592.3376168)

PA 14:0/11:3;O3

C28H49O11P (592.3012334)

PA 14:0/12:2;O2

C29H53O10P (592.3376168)

PA 18:0/7:3;O3

C28H49O11P (592.3012334)

PA 18:0/8:2;O2

C29H53O10P (592.3376168)

PA 18:1/7:2;O3

C28H49O11P (592.3012334)

PA 18:1/8:1;O2

C29H53O10P (592.3376168)

PA 20:5/8:3;O

C31H45O9P (592.2801049999999)

PA 22:1/4:1;O2

C29H53O10P (592.3376168)

PA 22:6/6:2;O

C31H45O9P (592.2801049999999)

PA 26:2;O2

C29H53O10P (592.3376168)

PA 28:8;O

C31H45O9P (592.2801049999999)

LPGP 18:0

C24H50O12P2 (592.2777360000001)

PG O-16:0/7:3;O

C29H53O10P (592.3376168)

PG O-22:4;O2

C28H49O11P (592.3012334)

PG O-23:3;O

C29H53O10P (592.3376168)

PG P-18:1/4:2;O2

C28H49O11P (592.3012334)

PG P-18:1/5:1;O

C29H53O10P (592.3376168)

PG 14:0/8:3;O

C28H49O11P (592.3012334)

PG 14:1/7:3;O2

C27H45O12P (592.26485)

PG 16:1/6:2;O

C28H49O11P (592.3012334)

PG 18:2/4:1;O

C28H49O11P (592.3012334)

PG 21:4;O2

C27H45O12P (592.26485)

PG 22:3;O

C28H49O11P (592.3012334)

PG 2:0_21:2

C29H53O10P (592.3376168)

PEth 27:7

C32H49O8P (592.3164884)

PM 28:7

C32H49O8P (592.3164884)

ST 21:0;O8;GlcA

C27H44O14 (592.2730924)

ST 25:4;O5;GlcA

C31H44O11 (592.2883474)

ST 26:3;O4;GlcA

C32H48O10 (592.3247308)

ST 22:0;O8;Hex

C28H48O13 (592.3094758)

ST 25:5;O6;Hex

C31H44O11 (592.2883474)

ST 26:4;O5;Hex

C32H48O10 (592.3247308)

ST 28:1;O8;S

C28H48O11S (592.2917178)

ST 29:0;O7;S

C29H52O10S (592.3281012)

(1s,2s,3r,4r,7s,8z,10r,12s,13r,14s)-2,10,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2r)-2-methylbutanoate

C31H44O11 (592.2883474)

(2e)-4-[(1s,2s,15s,16r,17s,19r)-12-hydroxy-16-methoxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4,6(11),9,12-tetraen-19-yl]-2-methylbut-2-enoic acid

C34H40O9 (592.2672190000001)

(2z)-4-[(1r,2r,7r,16s,18s)-11-hydroxy-16-methoxy-6,6,7,20,20-pentamethyl-10-(3-methylbut-2-en-1-yl)-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.0²,¹⁴.0²,¹⁸.0⁴,¹².0⁵,⁹]henicosa-4,9,11,14-tetraen-18-yl]-2-methylbut-2-enoic acid

C34H40O9 (592.2672190000001)

3-[(3r,21s,22s)-16-ethenyl-11-ethyl-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaen-22-yl]propanoic acid

C35H36N4O5 (592.2685566)

(3as,3br,5ar,9as,9br,11ar)-7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate

C32H48O10 (592.3247308)

(1r,2r,3as,3br,5ar,7s,9as,9bs,11ar)-7-{[(2r,3r,4s,5s,6r)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate

C32H48O10 (592.3247308)

4-amino-4-[(4-carbamimidamido-1-{[({1-[(1-carboxy-2-hydroxypropyl)-c-hydroxycarbonimidoyl]-3-(methylsulfanyl)propyl}-c-hydroxycarbonimidoyl)methyl]-c-hydroxycarbonimidoyl}butyl)-c-hydroxycarbonimidoyl]butanoic acid

C22H40N8O9S (592.2638830000001)

(2e)-n-[(2e,6z,8z)-11-{4-[(2s)-2-[(3s,4r)-4,8-dihydroxy-7-methyl-1-oxo-3,4-dihydro-2-benzopyran-3-yl]propyl]-1,3-oxazol-2-yl}dodeca-2,6,8-trien-1-yl]-3-methoxy-n-methylbut-2-enamide

C34H44N2O7 (592.3148354)

6-(furan-3-yl)-16-hydroxy-1,5,10,15-tetramethyl-18-[(2-methylbut-2-enoyl)oxy]-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-11-yl 2-methylbut-2-enoate

C36H48O7 (592.3399858)

(1s)-2-[(1r,4r,4ar,5s,6r,8s,8ar)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl (2s)-2-methylbutanoate

C31H44O11 (592.2883474)

(1s,2s,3s,4r,7s,8z,10r,12s,13r,14s)-2,10,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2r)-2-methylbutanoate

C31H44O11 (592.2883474)

4-{4-[2-(4-hydroxyphenyl)ethenyl]-2,7-bis[2-(4-hydroxyphenyl)ethyl]-octahydropyrano[3,2-c]pyran-5-yl}phenol

C38H40O6 (592.2824740000001)

(1s)-2-[(1s,4ar,5s,6s,8r,8ar)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl 2-methylbutanoate

C31H44O11 (592.2883474)

4-[11-hydroxy-16-methoxy-6,6,7,20,20-pentamethyl-10-(3-methylbut-2-en-1-yl)-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.0²,¹⁴.0²,¹⁸.0⁴,¹².0⁵,⁹]henicosa-4,9,11,14-tetraen-18-yl]-2-methylbut-2-enoic acid

C34H40O9 (592.2672190000001)

(1r,3as,3br,5ar,7r,9r,9as,9bs,11ar)-7-{[(2r,3r,4r,5r,6s)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-9-yl acetate

C32H48O10 (592.3247308)

[(1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-4a-(acetoxymethyl)-8-[(2S)-2-acetoxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-spiro[decalin-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate

C31H44O11 (592.2883474)

{"Ingredient_id": "HBIN003120","Ingredient_name": "[(1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-4a-(acetoxymethyl)-8-[(2S)-2-acetoxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-spiro[decalin-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate","Alias": "[(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate; (2S)-2-methylbutanoic acid [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-4a-(acetoxymethyl)-8-[(2S)-2-acetoxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-1-spiro[decalin-4,2'-oxirane]yl] ester; [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate; (2S)-2-methylbutyric acid [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-8-[(2S)-2-acetoxy-2-(5-keto-2H-furan-3-yl)ethyl]-4a-(acetoxymethyl)-7,8-dimethyl-spiro[decalin-4,2'-oxirane]-1-yl] ester","Ingredient_formula": "C31H44O11","Ingredient_Smile": "NA","Ingredient_weight": "592.67","OB_score": "23.87206564","CAS_id": "121449-65-8","SymMap_id": "SMIT09131","TCMID_id": "NA","TCMSP_id": "MOL007754","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

5alpha-cinnamoyloxy-9alpha,10beta,13alpha-triacetoxytaxa-4(20),11-diene

C35H44O8 (592.3036024)

{"Ingredient_id": "HBIN011414","Ingredient_name": "5alpha-cinnamoyloxy-9alpha,10beta,13alpha-triacetoxytaxa-4(20),11-diene","Alias": "5\u03b1-cinnamoyloxy-9\u03b1,10\u03b2,13\u03b1-triacetoxytaxa-4(20),11-diene","Ingredient_formula": "C35H44O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30787;3717","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

ajugamacrin b

C31H44O11 (592.2883474)

{"Ingredient_id": "HBIN014974","Ingredient_name": "ajugamacrin b","Alias": "NA","Ingredient_formula": "C31H44O11","Ingredient_Smile": "CCC(C)C(=O)OC(CC1(C(CC(C2(C1C(CCC23CO3)OC(=O)C)COC(=O)C)OC(=O)C)C)C)C4=CC(=O)OC4","Ingredient_weight": "592.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "800","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101370736","DrugBank_id": "NA"}

ajugamarin b2

C31H44O11 (592.2883474)

{"Ingredient_id": "HBIN014977","Ingredient_name": "ajugamarin b2","Alias": "NA","Ingredient_formula": "C31H44O11","Ingredient_Smile": "CCC(C)C(=O)OC1CCC2(CO2)C3(C1C(C(CC3OC(=O)C)C)(C)CC(C4=CC(=O)OC4)OC(=O)C)COC(=O)C","Ingredient_weight": "592.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14208","TCMID_id": "803","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "180054","DrugBank_id": "NA"}

blepharocalyxin d

C38H40O6 (592.2824740000001)

{"Ingredient_id": "HBIN018650","Ingredient_name": "blepharocalyxin d","Alias": "NA","Ingredient_formula": "C38H40O6","Ingredient_Smile": "C1C(OC2CC(OC(C2C1C=CC3=CC=C(C=C3)O)C4=CC=C(C=C4)O)CCC5=CC=C(C=C5)O)CCC6=CC=C(C=C6)O","Ingredient_weight": "592.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2499","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "9985898","DrugBank_id": "NA"}

(1s,2s,4r,5r,6r,9r,10r,12s,16r,18s,21r)-2,9,10-trihydroxy-12-(hydroxymethyl)-4,6,17,17-tetramethyl-18-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docos-13-en-8-one

C32H48O10 (592.3247308)

(2z)-4-[(1r,2r,15s,16r,17r,19s)-12-hydroxy-16-methoxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4,6(11),9,12-tetraen-19-yl]-2-methylbut-2-enoic acid

C34H40O9 (592.2672190000001)

(1r,3s,4r,5r,9s,13s,14s)-13-hydroxy-9-[(1r)-1-hydroxyethyl]-3-[(2r,5s)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione

C32H48O10 (592.3247308)

(1r,2r,5s,6r,10r,11s,12r,15r,16r,18s,19r)-6-(furan-3-yl)-16-hydroxy-1,5,10,15-tetramethyl-18-{[(2e)-2-methylbut-2-enoyl]oxy}-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-11-yl (2e)-2-methylbut-2-enoate

C36H48O7 (592.3399858)

(1r,4r,13r,14s)-13-hydroxy-9-(1-hydroxyethyl)-3-[5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione

C32H48O10 (592.3247308)

2-acetyl-6-[(6-butanoyl-5,7-dihydroxy-2,2-dimethylchromen-8-yl)methyl]-4-(3,7-dimethylocta-2,6-dien-1-yl)-3,5-dihydroxy-4-methylcyclohexa-2,5-dien-1-one

C35H44O8 (592.3036024)

methyl (5ar,6r,7s,7as,7br,9as,12r,13as,13bs,15as,15bs)-6-(acetyloxy)-7,12,13a-trihydroxy-5a-[(1r)-1-hydroxyethyl]-7b,9a,12,15a-tetramethyl-3-oxo-5h,6h,7h,7ah,8h,9h,10h,11h,13h,14h,15h,15bh-chryseno[2,1-c]oxepine-13b-carboxylate

C32H48O10 (592.3247308)

(1r,4r,4ar,5s,6r,8s,8ar)-8-(acetyloxy)-5-[(2s)-2-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl (2s)-2-methylbutanoate

C31H44O11 (592.2883474)

(1r,2s,3as,3br,5ar,7s,9as,9bs,11ar)-7-{[(2r,3r,4s,5r,6r)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate

C32H48O10 (592.3247308)

7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-2,3a,5a-trihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

C31H44O11 (592.2883474)

(1r,2r,3as,3br,5ar,7s,9as,9bs,11ar)-7-{[(2r,3r,4s,5r,6r)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate

C32H48O10 (592.3247308)

(1s)-1-[(1s,3ar,3bs,5as,7s,9as,9br,11r,11ar)-11-(benzoyloxy)-1,3a,3b,7-tetrahydroxy-9a,11a-dimethyl-dodecahydrocyclopenta[a]phenanthren-1-yl]ethyl benzoate

C35H44O8 (592.3036024)

2-acetyl-6-[(8-butanoyl-5,7-dihydroxy-2,2-dimethylchromen-6-yl)methyl]-4-(3,7-dimethylocta-2,6-dien-1-yl)-3,5-dihydroxy-4-methylcyclohexa-2,5-dien-1-one

C35H44O8 (592.3036024)

2,10,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl 2-methylbutanoate

C31H44O11 (592.2883474)

2,14,15-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl 2-methylbutanoate

C31H44O11 (592.2883474)

(1s,2s,3r,4r,7s,8z,13s,14r,15s)-2,14,15-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2s)-2-methylbutanoate

C31H44O11 (592.2883474)

(1s,3r,4s,5s,9r,13s,14r)-13-hydroxy-9-[(1r)-1-hydroxyethyl]-3-[(2s,5s)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione

C32H48O10 (592.3247308)

(4r,4ar,5s,6r,8s,8ar)-8-(acetyloxy)-5-[(2s)-2-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl (2s)-2-methylbutanoate

C31H44O11 (592.2883474)

(1s,3s,4s,5r,7r,8s,9s,10s)-4-(acetyloxy)-5-hydroxy-4,10-dimethyl-9-{[(2z)-2-methylbut-2-enoyl]oxy}-8-{[(2r)-2-methylbutanoyl]oxy}-7-(prop-1-en-2-yl)-11-oxabicyclo[8.1.0]undecan-3-yl (2z)-2-methylbut-2-enoate

C32H48O10 (592.3247308)

(4s)-4-amino-4-{[(1s)-4-carbamimidamido-1-[({[(1s)-1-{[(1s,2r)-1-carboxy-2-hydroxypropyl]-c-hydroxycarbonimidoyl}-3-(methylsulfanyl)propyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]butyl]-c-hydroxycarbonimidoyl}butanoic acid

C22H40N8O9S (592.2638830000001)

(2z)-4-[(1s,2s,15r,16s,17s,19r)-12-hydroxy-16-methoxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4,6(11),9,12-tetraen-19-yl]-2-methylbut-2-enoic acid

C34H40O9 (592.2672190000001)

(1s,2s,3r,4r,7s,8z,12s,13s,14r,15s)-2,14,15-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2s)-2-methylbutanoate

C31H44O11 (592.2883474)

(2z)-4-[(2s,15r,16r,17s,19r)-12-hydroxy-16-methoxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4,6(11),9,12-tetraen-19-yl]-2-methylbut-2-enoic acid

C34H40O9 (592.2672190000001)

(1's,2s,5r,6r,10'z,12'z,14's,15's,16'z,19'r)-6-cyclohexyl-7',15'-dihydroxy-5,6',10',14',16'-pentamethyl-2',20'-dioxaspiro[oxane-2,21'-tricyclo[17.3.1.0⁴,⁹]tricosane]-4',6',8',10',12',16'-hexaene-3',4-dione

C36H48O7 (592.3399858)

(1r,2s,3s,4s,4ar,5s,6r,8s,8ar)-5-[(3as,6as)-2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl]-3,8-bis(acetyloxy)-2-hydroxy-5,6-dimethyl-4-{[(2e)-2-methylbut-2-en-1-yl]oxy}-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-8a-ylmethyl acetate

C31H44O11 (592.2883474)

(4r)-2-acetyl-6-[(6-butanoyl-5,7-dihydroxy-2,2-dimethylchromen-8-yl)methyl]-4-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3,5-dihydroxy-4-methylcyclohexa-2,5-dien-1-one

C35H44O8 (592.3036024)

methyl 6-(acetyloxy)-7,12,13a-trihydroxy-5a-(1-hydroxyethyl)-7b,9a,12,15a-tetramethyl-3-oxo-5h,6h,7h,7ah,8h,9h,10h,11h,13h,14h,15h,15bh-chryseno[2,1-c]oxepine-13b-carboxylate

C32H48O10 (592.3247308)

(1s)-2-[(1r,4r,4ar,5s,6r,8s,8ar)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl (2r)-2-methylbutanoate

C31H44O11 (592.2883474)

7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-9-yl acetate

C32H48O10 (592.3247308)

(1r,2r,3r,4s,5s,7r,8r,9r,10r,11s,13s,15r)-2,4,7-tris(acetyloxy)-8,16-dihydroxy-5,9,12,12-tetramethyl-17-oxapentacyclo[7.6.2.0¹,¹⁰.0³,⁷.0¹¹,¹³]heptadecan-15-yl (2e)-2-methylbut-2-enoate

C31H44O11 (592.2883474)

(1r,3r,5s,7s,8s,9r,10r,13s)-9,13-bis(acetyloxy)-7-hydroxy-8,12,15,15-tetramethyl-4-methylidene-5-[(2e)-3-phenylprop-2-enoyl]tricyclo[9.3.1.0³,⁸]pentadec-11-en-10-yl acetate

C35H44O8 (592.3036024)

(1s,13r)-19,20,24-trimethoxy-14,29-dimethyl-7,22-dioxa-14,29-diazaheptacyclo[21.6.2.2³,⁶.2⁸,¹¹.1¹³,¹⁷.0²⁶,³⁰.0²¹,³²]hexatriaconta-3,5,8,10,17(32),18,20,23(31),24,26(30),33,35-dodecaene

C37H40N2O5 (592.293707)

methyl (2e,4e,8e)-15-(5-amino-2-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)-11-hydroxy-7-(c-hydroxycarbonimidoyloxy)-6,12-dimethoxy-2,8,10,14-tetramethylpentadeca-2,4,8-trienoate

C30H44N2O10 (592.2995804)

(1s,2s,3s,4r,7s,8z,10r,12s,13r,14s)-2,12,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-10-yl 3-methylbutanoate

C31H44O11 (592.2883474)

(1r,2s,3as,3br,5as,7s,9as,9bs,11ar)-7-{[(2r,3s,4r,5s,6s)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-2,3a,5a-trihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

C31H44O11 (592.2883474)

{7-[(acetyloxy)methyl]-5,6-dihydroxy-3,11,14-trimethyl-4-[(2-methylbut-2-enoyl)oxy]-15-oxotetracyclo[7.5.1.0¹,⁵.0¹⁰,¹²]pentadeca-2,7-dien-11-yl}methyl benzoate

C34H40O9 (592.2672190000001)

3-(2,4-dihydroxy-6-pentylbenzoyloxy)-5-pentylphenyl 2,4-dihydroxy-6-pentylbenzoate

C35H44O8 (592.3036024)

2,9,10-trihydroxy-12-(hydroxymethyl)-4,6,17,17-tetramethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docos-13-en-8-one

C32H48O10 (592.3247308)

1-[(3-{4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl)methyl]phenoxy}-4-methoxyphenyl)methyl]-6-methoxy-3,4-dihydroisoquinoline

C37H40N2O5 (592.293707)

2,9,10,11-tetrahydroxy-4,6,12,17,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docos-13-en-8-one

C32H48O10 (592.3247308)

(2s)-2-[(1-hydroxy-2-{[(1s,2r)-2-hydroxy-1-{[(1s,2r)-2-hydroxy-1-{[(4s)-2-methyl-5-oxoheptan-4-yl]-c-hydroxycarbonimidoyl}propyl]-c-hydroxycarbonimidoyl}propyl]-c-hydroxycarbonimidoyl}-2-methylethylidene)amino]-3-phenylpropanoic acid

C29H44N4O9 (592.3108134)

2-[4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl 2-methylbutanoate

C31H44O11 (592.2883474)

(1s,2s,4r,5r,6r,9r,10s,11r,12r,16r,18s,21r)-2,9,10,11-tetrahydroxy-4,6,12,17,17-pentamethyl-18-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docos-13-en-8-one

C32H48O10 (592.3247308)

(1r,2r,3r,4s,7r,8z,12r,13r,14s,15r)-2,14,15-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2r)-2-methylbutanoate

C31H44O11 (592.2883474)

2-{[9a-formyl-2,3a-dihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl acetate

C31H44O11 (592.2883474)

3-[(3r,21s,22s)-16-ethenyl-11-ethyl-4-hydroxy-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid

C35H36N4O5 (592.2685566)

4-[(2s,4r,4ar,5r,7s,8as)-4-[(1e)-2-(4-hydroxyphenyl)ethenyl]-2,7-bis[2-(4-hydroxyphenyl)ethyl]-octahydropyrano[3,2-c]pyran-5-yl]phenol

C38H40O6 (592.2824740000001)

methyl (2e,4z,6r,7r,8e,10r,11s,12r,14r)-15-(5-amino-2-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)-11-hydroxy-7-(c-hydroxycarbonimidoyloxy)-6,12-dimethoxy-2,8,10,14-tetramethylpentadeca-2,4,8-trienoate

C30H44N2O10 (592.2995804)

(2z)-4-[(1s,2s,17s,19r)-12-hydroxy-16-methoxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4,6(11),9,12-tetraen-19-yl]-2-methylbut-2-enoic acid

C34H40O9 (592.2672190000001)

(4r)-2-acetyl-6-[(8-butanoyl-5,7-dihydroxy-2,2-dimethylchromen-6-yl)methyl]-4-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3,5-dihydroxy-4-methylcyclohexa-2,5-dien-1-one

C35H44O8 (592.3036024)

(1r,2s,3as,3br,5ar,7s,9as,9bs,11ar)-7-{[(2r,3r,4s,5s,6r)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate

C32H48O10 (592.3247308)

19,20,24-trimethoxy-14,29-dimethyl-7,22-dioxa-14,29-diazaheptacyclo[21.6.2.2³,⁶.2⁸,¹¹.1¹³,¹⁷.0²⁶,³⁰.0²¹,³²]hexatriaconta-3,5,8,10,17(32),18,20,23(31),24,26(30),33,35-dodecaene

C37H40N2O5 (592.293707)

8-(acetyloxy)-5-[2-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl 2-methylbutanoate

C31H44O11 (592.2883474)

7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate

C32H48O10 (592.3247308)

1-{[3-(4-{[(1s)-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl}phenoxy)-4-methoxyphenyl]methyl}-6-methoxy-3,4-dihydroisoquinoline

C37H40N2O5 (592.293707)

(1r,2s,4r,5r,6r,9r,10r,11r,12r,16r,18s,21r)-2,9,10,11-tetrahydroxy-4,6,12,17,17-pentamethyl-18-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docos-13-en-8-one

C32H48O10 (592.3247308)

[(1s,4s,5s,6r,9s,10r,11r,12r,14r)-7-[(acetyloxy)methyl]-5,6-dihydroxy-3,11,14-trimethyl-4-{[(2z)-2-methylbut-2-enoyl]oxy}-15-oxotetracyclo[7.5.1.0¹,⁵.0¹⁰,¹²]pentadeca-2,7-dien-11-yl]methyl benzoate

C34H40O9 (592.2672190000001)

4-(acetyloxy)-5-hydroxy-4,10-dimethyl-9-[(2-methylbut-2-enoyl)oxy]-8-[(2-methylbutanoyl)oxy]-7-(prop-1-en-2-yl)-11-oxabicyclo[8.1.0]undecan-3-yl 2-methylbut-2-enoate

C32H48O10 (592.3247308)

(1s,2r,5s,6s,7s,8r,9r,12r)-12-(acetyloxy)-5-(benzoyloxy)-8-butoxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C35H44O8 (592.3036024)

(2z)-4-[(1s,2s,15r,16r,17s,19r)-12-hydroxy-16-methoxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4,6(11),9,12-tetraen-19-yl]-2-methylbut-2-enoic acid

C34H40O9 (592.2672190000001)

(2e)-n-[(2e,6z,8z,11s)-11-{4-[(2s)-2-[(3s,4r)-4,8-dihydroxy-7-methyl-1-oxo-3,4-dihydro-2-benzopyran-3-yl]propyl]-1,3-oxazol-2-yl}dodeca-2,6,8-trien-1-yl]-3-methoxy-n-methylbut-2-enamide

C34H44N2O7 (592.3148354)

n-(11-{4-[2-(4,8-dihydroxy-7-methyl-1-oxo-3,4-dihydro-2-benzopyran-3-yl)propyl]-1,3-oxazol-2-yl}dodeca-2,6,8-trien-1-yl)-3-methoxy-n-methylbut-2-enamide

C34H44N2O7 (592.3148354)

6-cyclohexyl-7',15'-dihydroxy-5,6',10',14',16'-pentamethyl-2',20'-dioxaspiro[oxane-2,21'-tricyclo[17.3.1.0⁴,⁹]tricosane]-4',6',8',10',12',16'-hexaene-3',4-dione

C36H48O7 (592.3399858)

3-[16-ethenyl-11-ethyl-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaen-22-yl]propanoic acid

C35H36N4O5 (592.2685566)

4-[(2s,4s,4as,5s,7s,8ar)-4-[(1e)-2-(4-hydroxyphenyl)ethenyl]-2,7-bis[2-(4-hydroxyphenyl)ethyl]-octahydropyrano[3,2-c]pyran-5-yl]phenol

C38H40O6 (592.2824740000001)

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-hydroxy-1,7-dimethyl-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-octahydro-1ah-cyclopropa[e]azulene-1-carboxylate

C27H44O14 (592.2730924)

4-[12-hydroxy-16-methoxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4,6(11),9,12-tetraen-19-yl]-2-methylbut-2-enoic acid

C34H40O9 (592.2672190000001)

methyl 3-(acetyloxy)-2,13,20,21,25-pentahydroxy-5,8,22-trimethyl-11-methylidene-24-oxahexacyclo[15.5.3.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]pentacosane-14-carboxylate

C32H48O10 (592.3247308)

(2e)-4-[(1r,2r,7s,16s,18s)-11-hydroxy-16-methoxy-6,6,7,20,20-pentamethyl-10-(3-methylbut-2-en-1-yl)-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.0²,¹⁴.0²,¹⁸.0⁴,¹².0⁵,⁹]henicosa-4,9,11,14-tetraen-18-yl]-2-methylbut-2-enoic acid

C34H40O9 (592.2672190000001)

methyl (1s,2s,3s,4r,5r,8r,13s,14s,17s,18r,20r,21r,22r,25s)-3-(acetyloxy)-2,13,20,21,25-pentahydroxy-5,8,22-trimethyl-11-methylidene-24-oxahexacyclo[15.5.3.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]pentacosane-14-carboxylate

C32H48O10 (592.3247308)

2,12,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-10-yl 3-methylbutanoate

C31H44O11 (592.2883474)

(2s,3r,4r,5s,6s)-2-{[(1r,2r,3as,3br,5ar,7s,9ar,9bs,11ar)-9a-formyl-2,3a-dihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl acetate

C31H44O11 (592.2883474)

(2z)-4-[(1r,2r,7s,16s,18s)-11-hydroxy-16-methoxy-6,6,7,20,20-pentamethyl-10-(3-methylbut-2-en-1-yl)-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.0²,¹⁴.0²,¹⁸.0⁴,¹².0⁵,⁹]henicosa-4,9,11,14-tetraen-18-yl]-2-methylbut-2-enoic acid

C34H40O9 (592.2672190000001)

(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1r,1ar,4s,4as,7r,7as,7bs)-4-hydroxy-1,7-dimethyl-4-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-octahydro-1ah-cyclopropa[e]azulene-1-carboxylate

C27H44O14 (592.2730924)