Exact Mass: 650.3508

Thapsigargin

C34H50O12 (650.3302)

Thapsigargin is an organic heterotricyclic compound that is a hexa-oxygenated 6,7-guaianolide isolated fron the roots of Thapsia garganica L., Apiaceae. A potent skin irritant, it is used in traditional medicine as a counter-irritant. Thapsigargin inhibits Ca(2+)-transporting ATPase mediated uptake of calcium ions into sarcoplasmic reticulum and is used in experimentation examining the impacts of increasing cytosolic calcium concentrations. It has a role as an EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor and a calcium channel blocker. It is a sesquiterpene lactone, an organic heterotricyclic compound and a butyrate ester. Thapsigargin is a natural product found in Thapsia gymnesica, Thapsia villosa, and Thapsia garganica with data available. A sesquiterpene lactone found in roots of THAPSIA. It inhibits SARCOPLASMIC RETICULUM CALCIUM-TRANSPORTING ATPASES. C1907 - Drug, Natural Product > C28269 - Phytochemical > C93252 - Sesquiterpene Lactone D004791 - Enzyme Inhibitors (-)-Thapsigargin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=67526-95-8 (retrieved 2024-11-06) (CAS RN: 67526-95-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Esculentoside E

C35H54O11 (650.3666)

Isolated from Phytolacca americana (pokeberry). Esculentoside E is found in fruits and green vegetables. Esculentoside E is found in fruits. Esculentoside E is isolated from Phytolacca americana (pokeberry

Digoxigenin bisdigitoxoside

C35H54O11 (650.3666)

Digoxigenin bisdigitoxoside is a metabolite of digoxin. Digoxin is a purified cardiac glycoside and extracted from the foxglove plant, Digitalis lanata. Its corresponding aglycone is digoxigenin, and its acetyl derivative is acetyldigoxin. Digoxin is widely used in the treatment of various heart conditions, namely atrial fibrillation, atrial flutter and sometimes heart failure that cannot be controlled by other medication. Digoxin preparations are commonly marketed under the trade names Lanoxin, Digitek, and Lanoxicaps. (Wikipedia)

3-trans-Caffeoyltormentic acid

C39H54O8 (650.3818)

3-trans-Caffeoyltormentic acid is found in fruits. 3-trans-Caffeoyltormentic acid is a constituent of Eriobotrya japonica (loquat). Constituent of Eriobotrya japonica (loquat). 3-trans-Caffeoyltormentic acid is found in loquat and fruits.

23-trans-p-Coumaroyloxytormentic acid

C39H54O8 (650.3818)

23-cis-p-Coumaroyloxytormentic acid is found in fruits. 23-cis-p-Coumaroyloxytormentic acid is a constituent of Eriobotrya japonica (loquat). Constituent of Eriobotrya japonica (loquat). 23-trans-p-Coumaroyloxytormentic acid is found in loquat and fruits.

Naloxonazine

C38H42N4O6 (650.3104)

Thapsigargin

C34H50O12 (650.3302)

PA(8:0/6 keto-PGF1alpha)

C31H55O12P (650.3431)

PA(8:0/6 keto-PGF1alpha) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(8:0/6 keto-PGF1alpha), in particular, consists of one chain of one octanoyl at the C-1 position and one chain of 6-Keto-prostaglandin F1alpha at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).

PA(6 keto-PGF1alpha/8:0)

C31H55O12P (650.3431)

PA(6 keto-PGF1alpha/8:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(6 keto-PGF1alpha/8:0), in particular, consists of one chain of one 6-Keto-prostaglandin F1alpha at the C-1 position and one chain of octanoyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).

PA(8:0/TXB2)

C31H55O12P (650.3431)

PA(8:0/TXB2) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(8:0/TXB2), in particular, consists of one chain of one octanoyl at the C-1 position and one chain of Thromboxane B2 at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).

PA(TXB2/8:0)

C31H55O12P (650.3431)

PA(TXB2/8:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(TXB2/8:0), in particular, consists of one chain of one Thromboxane B2 at the C-1 position and one chain of octanoyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).

Strychnogucine C

C42H42N4O3 (650.3257)

Myrtucommulone D

C38H50O9 (650.3455)

Sublanceoside B2

C34H50O12 (650.3302)

Strychnogucine A

C42H42N4O3 (650.3257)

A bisindole alkaloid with a strychnine substructure isolated from the roots of Strychnos icaja and has been shown to exhibit antiplasmodial activity.

Dysoxylin B

C37H46O10 (650.3091)

Withametelin P

C34H50O12 (650.3302)

Nicandrose E

C31H54O14 (650.3513)

7-Deacetoxytaxinine J

C37H46O10 (650.3091)

2,9,10,13-Tetraacetoxy-20-cinnamoyloxy-taxa-4(5),11(12)-diene

C37H46O10 (650.3091)

scupontin E

C34H50O12 (650.3302)

23-cis-p-Coumaroyloxytormentic acid

C39H54O8 (650.3818)

S4:18(P3:16/F1:2)

C30H50O15 (650.315)

Annotation level-3

C39H54O8

C39H54O8 (650.3818)

23-(trans-p-coumaroyloxy)-3beta,6alpha,30-trihydroxyurs-12-en-28-oic acid

C39H54O8 (650.3818)

20-O-Benzoyl-13-O-dodecanoateingenol

C39H54O8 (650.3818)

DTXSID00950531

C35H54O11 (650.3666)

Dipuupehedione

C42H50O6 (650.3607)

18-hydroxy-isosungucine

C42H42N4O3 (650.3257)

phaeanthine

C40H46N2O6 (650.3356)

Thr-Asn-Phe-Asn-Arg

C27H42N10O9 (650.3136)

(20R,22R)-14alpha,20,27-trihydroxy-1-oxowitha-5,24-dienolide-3beta-(O-beta-D-glucopyranoside)

C34H50O12 (650.3302)

Esculentoside B

C35H54O11 (650.3666)

3beta,5beta,15alpha,19beta,25-pentahydroxy-16,23-dioxo-9,10-seco-9,19-cyclolanosta-5(10),9(11)-diene 3-O-alpha-L-arabinopyranoside|podocarpaside E

C35H54O11 (650.3666)

Myrtucommulone C

C38H50O9 (650.3455)

(14R,17S,20S,22R)-14,17,20-trihydroxy-3beta-(O-beta-D-glucopyranosyl)-1-oxowitha-5,24-dienolide|coagulin L

C34H50O12 (650.3302)

2-O-(6-O-malonyl-beta-D-glucopyranosyl)-12-O-(beta-D-glucopyranosyl)-campherenane-2-endo,12-diol

C30H50O15 (650.315)

(3beta,16beta)-3,16-dihydroxypregna-5,20-diene-20-carboxylic acid gamma-lactone 3-O-alpha-L-rhamnopyranosyl(1->2)-beta-D-glucopyranoside|pallidifloside D

C34H50O12 (650.3302)

1alpha,6beta,14alpha,16beta-tetramethoxy-7-oxo-18-succinylanthranoyloxy-17-(7 -> 8)abeo-aconane|anhydrolycaconitine

C36H46N2O9 (650.3203)

18-hydroxy-sungucine

C42H42N4O3 (650.3257)

phuklona sulfate

C36H58O8S (650.3852)

Phytolaccoside B

C35H54O11 (650.3666)

2-O-acetyl-3,4-di-O-hexanoyl-3-O-isobutyrylsucrose

C30H50O15 (650.315)

16-Oxolyclanitin 30-(4-hydroxycinnamoyl)

C39H54O8 (650.3818)

C30H50O15

C30H50O15 (650.315)

Rhamnolipid

C32H58O13 (650.3877)

27-O-beta-D-glucopyranosyl viscosalactone B|27-O-beta-D-glucopyranosylviscosalactone B

C34H50O12 (650.3302)

scuteguatemalin

C34H50O12 (650.3302)

glucodiginin

C34H50O12 (650.3302)

15alpha-Hydroxycimicidol 3-O-beta-D-xyloside|15alpha-hydroxycimicidol-3-O-beta-xyloside

C35H54O11 (650.3666)

Tyr Lys Val Glu Ile

C31H50N6O9 (650.3639)

Ile Val Glu Lys Tyr

C31H50N6O9 (650.3639)

3-acetyl-3-dodecanoyl-4-(3-methylbutanoyl)sucrose

C31H54O14 (650.3513)

7,13,17-O-Triacetyl-5-O-(2-methylbutyryl)-3-O-propanoyl-14-oxopremyrsinol

C34H50O12 (650.3302)

[6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate

C34H50O12 (650.3302)

18-hydroxyisosungucine

C42H42N4O3 (650.3257)

[6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate_26.7\\%

C34H50O12 (650.3302)

[6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate_major

C34H50O12 (650.3302)

[6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate_85.0\\%

C34H50O12 (650.3302)

[6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate_16.4\\%

C34H50O12 (650.3302)

[6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate_33.0\\%

C34H50O12 (650.3302)

Phe Ile Trp Trp

C37H42N6O5 (650.3217)

Phe Leu Trp Trp

C37H42N6O5 (650.3217)

Phe Trp Ile Trp

C37H42N6O5 (650.3217)

Phe Trp Leu Trp

C37H42N6O5 (650.3217)

Phe Trp Trp Ile

C37H42N6O5 (650.3217)

Phe Trp Trp Leu

C37H42N6O5 (650.3217)

Ile Phe Trp Trp

C37H42N6O5 (650.3217)

Ile Trp Phe Trp

C37H42N6O5 (650.3217)

Ile Trp Trp Phe

C37H42N6O5 (650.3217)

Leu Phe Trp Trp

C37H42N6O5 (650.3217)

Leu Trp Phe Trp

C37H42N6O5 (650.3217)

Leu Trp Trp Phe

C37H42N6O5 (650.3217)

Digoxigenin bisdigitoxoside

C35H54O11 (650.3666)

D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides

Trp Phe Ile Trp

C37H42N6O5 (650.3217)

Trp Phe Leu Trp

C37H42N6O5 (650.3217)

Trp Phe Trp Ile

C37H42N6O5 (650.3217)

Trp Phe Trp Leu

C37H42N6O5 (650.3217)

Trp Ile Phe Trp

C37H42N6O5 (650.3217)

Trp Ile Trp Phe

C37H42N6O5 (650.3217)

Trp Leu Phe Trp

C37H42N6O5 (650.3217)

Trp Leu Trp Phe

C37H42N6O5 (650.3217)

Trp Trp Phe Ile

C37H42N6O5 (650.3217)

Trp Trp Phe Leu

C37H42N6O5 (650.3217)

Trp Trp Ile Phe

C37H42N6O5 (650.3217)

Trp Trp Leu Phe

C37H42N6O5 (650.3217)

YKVEI

C31H50N6O9 (650.3639)

IVEKY

C31H50N6O9 (650.3639)

YAELR

C29H46N8O9 (650.3388)

FLEKD

C30H46N6O10 (650.3275)

25-O-(2-beta-D-glucopyranosyl-beta-D-glucopyranosyl)-25-hydroxy-11E-eicosenoic acid

C32H58O13 (650.3877)

Esculentoside E

C35H54O11 (650.3666)

3-trans-Caffeoyltormentic acid

C39H54O8 (650.3818)

23-trans-p-Coumaroyloxytormentic acid

C39H54O8 (650.3818)

alpha-L-rhamnopyranosyl- alpha-L-rhamnopyranosyl-beta-hydroxydecanoyl-beta-hydroxydecanoic acid

C32H58O13 (650.3877)

OHOHA-PG

C31H55O12P (650.3431)

Mantuoluoside G

C35H54O11 (650.3666)

Mantuoluoside H

C35H54O11 (650.3666)

1-[4-(2-AZEPAN-1-YL-ETHOXY)-BENZYL]-5-BENZYLOXY-2-(4-BENZYLOXY-PHENYL)-3-METHYL-1H-INDOLE

C44H46N2O3 (650.3508)

[5-[2-[tert-butyl(dimethyl)silyl]oxy-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-ethylamino]propoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid

C32H59BN2O7Si2 (650.3954)

Naloxonazine dihydrochloride

C38H42N4O6 (650.3104)

3-Acetyl RocuroniuM BroMide

C34H55BrN2O5 (650.3294)

Timolol hemihydrate

C26H50N8O7S2 (650.3244)

C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents

Metoprolol Fumarate

C34H54N2O10 (650.3778)

C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist

Rhamnolipid 1

C32H58O13 (650.3877)

Ethyl (5S,8S,11S,E)-8-benzyl-5-(tert-butoxymethyl)-3,6,9-trioxo-11-(((S)-2-oxopyrrolidin-3-yl)methyl)-1-phenyl-2-oxa-4,7,10-triazatetradec-12-en-14-oate

C35H46N4O8 (650.3315)

CID 139292094

C30H50O15 (650.315)

alpha-L-rhamnopyranosyl-alpha-L-rhamnopyranosyl-beta-hydroxydecanoyl-beta-hydroxydecanoic acid

C32H58O13 (650.3877)

3-Acetyl-3-lauryl-4-(isovaleryl)sucrose

C31H54O14 (650.3513)

Sucrose 2-acetyl-3-lauroyl-3-isovalerate

C31H54O14 (650.3513)

Sucrose 2-isovaleroyl-3-isodecanoyl-4-isobutanoate

C31H54O14 (650.3513)

sucrose-2,4-di-(2-methyl)butyryl-3-(3-methyl)pentanoyl-6-O-acetate

C30H50O15 (650.315)

[6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate

C34H50O12 (650.3302)

PA(8:0/6 keto-PGF1alpha)

C31H55O12P (650.3431)

PA(6 keto-PGF1alpha/8:0)

C31H55O12P (650.3431)

PA(8:0/TXB2)

C31H55O12P (650.3431)

PA(TXB2/8:0)

C31H55O12P (650.3431)

(7E)-7-[(Z)-(4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene)hydrazinylidene]-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol

C38H42N4O6 (650.3104)

D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids

N-(2-aminophenyl)-4-[[[(2S,3R)-10-[[anilino(oxo)methyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

C37H42N6O5 (650.3217)

(4aR,5aS,8aR,13aS,15S,15aR,15bR)-15-[(1R,13R,14E,17R,19S,21S)-14-ethylidene-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,10-tetraen-17-yl]-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one

C42H42N4O3 (650.3257)

N-[(3S,9R,10S)-9-[[[anilino(oxo)methyl]-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4,4,4-trifluorobutanamide

C33H45F3N4O6 (650.3291)

N-(2-aminophenyl)-4-[[[(2S,3R)-10-[[anilino(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

C37H42N6O5 (650.3217)

N-(2-aminophenyl)-4-[[[(2S,3S)-10-[[anilino(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

C37H42N6O5 (650.3217)

N-(2-aminophenyl)-4-[[[(2R,3R)-10-[[anilino(oxo)methyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

C37H42N6O5 (650.3217)

N-(2-aminophenyl)-4-[[[(2S,3S)-10-[[anilino(oxo)methyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

C37H42N6O5 (650.3217)

N-(2-aminophenyl)-4-[[[(2R,3R)-10-[[anilino(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

C37H42N6O5 (650.3217)

N-(2-aminophenyl)-4-[[[(2R,3S)-10-[[anilino(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

C37H42N6O5 (650.3217)

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]-2-(1-methyl-3-indolyl)acetamide

C36H41F3N4O4 (650.308)

N-(2-aminophenyl)-4-[[[(2R,3S)-10-[[anilino(oxo)methyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

C37H42N6O5 (650.3217)

CID 137628335

C42H42N4O3 (650.3257)

N-[(3R,9S,10S)-9-[[[anilino(oxo)methyl]-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4,4,4-trifluorobutanamide

C33H45F3N4O6 (650.3291)

N-[(2S,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]-2-(1-methyl-3-indolyl)acetamide

C36H41F3N4O4 (650.308)

N-[(2S,3S)-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]-2-(1-methyl-3-indolyl)acetamide

C36H41F3N4O4 (650.308)

5-[3-[2-[3-(3,8-Diamino-6-phenylphenanthridin-5-ium-5-yl)propylamino]ethylamino]propyl]-6-methylphenanthridin-5-ium-3,8-diamine

C41H46N8+2 (650.3845)

N(2)-[acetamido(1H-imidazol-4-yl)acetyl]-L-Glu-L-Ser-Gly-L-Pro-L-Val-NH2

C27H42N10O9 (650.3136)

(1R,10S,13S,14E,19S,21S)-10-[(1R,12S,13R,14E,17R,19S,21S)-14-ethylidene-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,10-tetraen-17-yl]-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one

C42H42N4O3 (650.3257)

5alpha,6beta,17alpha-trihydroxywithanolide 27-O-beta-D-glucoside

C34H50O12 (650.3302)

[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate

C31H55O12P (650.3431)

Smgdg O-16:3_6:0

C31H54O12S (650.3336)

Smgdg O-20:3_2:0

C31H54O12S (650.3336)

Smgdg O-18:3_4:0

C31H54O12S (650.3336)

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

C30H51O13P (650.3067)

PEtOH 31:6

C36H59O8P (650.3947)

PMeOH 16:3_16:3

C36H59O8P (650.3947)

PMeOH 14:1_18:5

C36H59O8P (650.3947)

PMeOH 16:2_16:4

C36H59O8P (650.3947)

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-pentanoyloxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate

C30H51O13P (650.3067)

[1-phosphonooxy-3-[(Z)-tridec-9-enoyl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

C36H59O8P (650.3947)

[2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-3-phosphonooxypropyl] (9Z,12Z)-heptadeca-9,12-dienoate

C36H59O8P (650.3947)

[1-[(Z)-pentadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

C36H59O8P (650.3947)

(1-phosphonooxy-3-undecanoyloxypropan-2-yl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

C36H59O8P (650.3947)

[1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(3E,6E,9E)-dodeca-3,6,9-trienoyl]oxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate

C34H51O10P (650.322)

[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-phosphonooxypropyl] (11E,14E)-heptadeca-11,14-dienoate

C36H59O8P (650.3947)

[(2R)-3-phosphonooxy-2-undecanoyloxypropyl] (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate

C36H59O8P (650.3947)

[2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxy-3-phosphonooxypropyl] (8E,11E,14E)-heptadeca-8,11,14-trienoate

C36H59O8P (650.3947)

[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-phosphonooxypropyl] (E)-heptadec-7-enoate

C36H59O8P (650.3947)

[(2R)-1-phosphonooxy-3-undecanoyloxypropan-2-yl] (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate

C36H59O8P (650.3947)

SMGDG O-22:3

C31H54O12S (650.3336)

SQDG 22:2

C31H54O12S (650.3336)

DGMG 16:2

C31H54O14 (650.3513)

SQMG 23:2

C32H58O11S (650.37)

DGGA 25:6;O

C34H50O12 (650.3302)

DGGA 26:5

C35H54O11 (650.3666)

PA 18:4/13:4;O2

C34H51O10P (650.322)

PA 20:4/12:3;O

C35H55O9P (650.3584)

PA 22:0/7:2;O3

C32H59O11P (650.3795)

PA 22:4/9:4;O2

C34H51O10P (650.322)

PA 29:2;O3

C32H59O11P (650.3795)

PA 31:8;O2

C34H51O10P (650.322)

PA 32:7;O

C35H55O9P (650.3584)

PA 11:0_22:6

C36H59O8P (650.3947)

PA 33:6

C36H59O8P (650.3947)

PG O-18:0/8:3;O2

C32H59O11P (650.3795)

PG O-25:4;O3

C31H55O12P (650.3431)

PG O-26:3;O2

C32H59O11P (650.3795)

PG P-18:0/7:3;O3

C31H55O12P (650.3431)

PG P-18:0/8:2;O2

C32H59O11P (650.3795)

PG P-18:1/7:2;O3

C31H55O12P (650.3431)

PG P-18:1/8:1;O2

C32H59O11P (650.3795)

PG 16:1/8:3;O3

C30H51O13P (650.3067)

PG 18:0/7:3;O2

C31H55O12P (650.3431)

PG 18:1/7:2;O2

C31H55O12P (650.3431)

PG 18:1/8:1;O

C32H59O11P (650.3795)

PG 20:0/6:2;O

C32H59O11P (650.3795)

PG 20:2/5:1;O2

C31H55O12P (650.3431)

PG 22:1/4:1;O

C32H59O11P (650.3795)

PG 24:4;O3

C30H51O13P (650.3067)

PG 26:2;O

C32H59O11P (650.3795)

PI O-18:2/4:1

C31H55O12P (650.3431)

PI O-22:3

C31H55O12P (650.3431)

PI P-18:1/4:1

C31H55O12P (650.3431)

PI P-18:1/4:1 or PI O-18:2/4:1

C31H55O12P (650.3431)

PI P-22:2

C31H55O12P (650.3431)

PI P-22:2 or PI O-22:3

C31H55O12P (650.3431)

PI 17:2/4:1

C30H51O13P (650.3067)

PI 21:3

C30H51O13P (650.3067)

PEth 30:7;O

C35H55O9P (650.3584)

PEth 31:6

C36H59O8P (650.3947)

PM 31:7;O

C35H55O9P (650.3584)

PM 32:6

C36H59O8P (650.3947)

ST 28:4;O6;GlcA

C34H50O12 (650.3302)

ST 29:3;O5;GlcA

C35H54O11 (650.3666)

ST 28:5;O7;Hex

C34H50O12 (650.3302)

(2s)-2-{[(2s)-2-{[(2s)-2-{[(2s)-2-{[(2s,3r)-2-amino-1,3-dihydroxybutylidene]amino}-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene]amino}-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene]amino}-5-carbamimidamidopentanoic acid

C27H42N10O9 (650.3136)

(2s)-4-{[(2s)-4-[(1r,4ar,5s,6r,8s,8ar)-5-[(2s,3as,6ar)-2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl]-8-(acetyloxy)-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-8a-ylmethoxy]-4-oxobutan-2-yl]oxy}-4-oxobutan-2-yl (3s)-3-hydroxybutanoate

C34H50O12 (650.3302)

6-(1-{5,5a-dihydroxy-9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-hydroxyethyl)-4-methyl-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5,6-dihydropyran-2-one

C34H50O12 (650.3302)

(1r,10s,11r,18s,20r,21r,22s)-10-[(1r,13s,14z,17r,19s,21s)-14-ethylidene-9-oxo-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,11-tetraen-17-yl]-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one

C42H42N4O3 (650.3257)

14-ethylidene-17-[(14e)-14-(2-hydroxyethylidene)-9-oxo-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,10-tetraen-10-yl]-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,10-tetraen-9-one

C42H42N4O3 (650.3257)

2-[(2-{[2-({2-[(2-amino-1,3-dihydroxybutylidene)amino]-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene}amino)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene)amino]-5-carbamimidamidopentanoic acid

C27H42N10O9 (650.3136)

(3r,5s,7s,8s,9r,10r,13s)-7,9,10,13-tetrakis(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-5-yl (2e)-3-phenylprop-2-enoate

C37H46O10 (650.3091)

2-{[3-(acetyloxy)-5-(hexanoyloxy)-6-(hydroxymethyl)-4-[(2-methylpropanoyl)oxy]oxan-2-yl]oxy}-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl hexanoate

C30H50O15 (650.315)

[(1r,2r,3r,8r,9r,10r,13s)-2,9,10,13-tetrakis(acetyloxy)-8,12,15,15-tetramethyltricyclo[9.3.1.0³,⁸]pentadeca-4,11-dien-4-yl]methyl (2e)-3-phenylprop-2-enoate

C37H46O10 (650.3091)

6-[1-(1,3a-dihydroxy-9a,11a-dimethyl-9-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2h,3h,3bh,4h,6h,7h,8h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl)-1-hydroxyethyl]-3,4-dimethyl-5,6-dihydropyran-2-one

C34H50O12 (650.3302)

(1r,3r,5s,7s,8s,9r,10r,13s)-7,9,10,13-tetrakis(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-5-yl (2e)-3-phenylprop-2-enoate

C37H46O10 (650.3091)

5,6-dihydroxy-2,16-dimethyl-15-{1-[4-methyl-6-oxo-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3-dihydropyran-2-yl]ethyl}-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-3-one

C34H50O12 (650.3302)

(10s,11r,18s,20r,21s,22s)-10-[(12r,13r,14z,17r,19s,21s)-14-ethylidene-9-oxo-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,10-tetraen-17-yl]-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one

C42H42N4O3 (650.3257)

(1r,2r,4s,5s,6s,10r,11s,15r,16r,18s,19r)-4,18-bis(acetyloxy)-16-hydroxy-1,5,10,15-tetramethyl-6-(5-oxooxolan-3-yl)-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-11-yl benzoate

C37H46O10 (650.3091)

(4s,5r,7r,8r,13r,16s,19r,22r)-8-{[(2s,4s,5r,6r)-5-{[(2s,4s,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-7-hydroxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosa-1(21),10-dien-14-one

C34H50O12 (650.3302)

16-oxolyclanitin 30-(4-hydroxycinnamoyl)

C39H54O8 (650.3818)

{"Ingredient_id": "HBIN001946","Ingredient_name": "16-oxolyclanitin 30-(4-hydroxycinnamoyl)","Alias": "NA","Ingredient_formula": "C39H54O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16365","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

20-o-benzoyl-13-o-dodecanoateingenol

C39H54O8 (650.3818)

{"Ingredient_id": "HBIN003430","Ingredient_name": "20-o-benzoyl-13-o-dodecanoateingenol","Alias": "NA","Ingredient_formula": "C39H54O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14447","TCMID_id": "2239","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

2-deacetoxytaxinine j

C37H46O10 (650.3091)

{"Ingredient_id": "HBIN005499","Ingredient_name": "2-deacetoxytaxinine j","Alias": "NA","Ingredient_formula": "C37H46O10","Ingredient_Smile": "CC1=C2C(C(C3(C(CC(C2(C)C)CC1OC(=O)C)C(=C)C(CC3OC(=O)C)OC(=O)C=CC4=CC=CC=C4)C)OC(=O)C)OC(=O)C","Ingredient_weight": "650.8 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4707","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "138113931","DrugBank_id": "NA"}

3-o-benzoyl-13-o-dodecanoateingenol

C39H54O8 (650.3818)

{"Ingredient_id": "HBIN009123","Ingredient_name": "3-o-benzoyl-13-o-dodecanoateingenol","Alias": "NA","Ingredient_formula": "C39H54O8","Ingredient_Smile": "CCCCCCCCCCCC(=O)OC12CC(C34C=C(C(C3(C(C(=CC(C1C2(C)C)C4=O)CO)O)O)OC(=O)C5=CC=CC=C5)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14446","TCMID_id": "2238","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

atratoglaucoside a

C34H50O12 (650.3302)

{"Ingredient_id": "HBIN017316","Ingredient_name": "atratoglaucoside a","Alias": "NA","Ingredient_formula": "C34H50O12","Ingredient_Smile": "CC1C(C(CC(O1)OC2C(OC(C(C2OC)O)OC3CCC4(C5CCC6=COC7(C6C(CO7)OC(=O)C5CC=C4C3)C)C)C)O)O","Ingredient_weight": "650.8 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14427","TCMID_id": "1991","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101109728","DrugBank_id": "NA"}

(1r,2r,4as,6as,6br,8ar,10r,11r,12ar,12br,14bs)-10-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

C39H54O8 (650.3818)

(1r,10s,11r,18s,20r,21s,22s)-10-[(1r,12r,13r,14e,17r,19s,21s)-14-ethylidene-9-oxo-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,10-tetraen-17-yl]-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one

C42H42N4O3 (650.3257)

(1s,3s,8s)-7,9,10,13-tetrakis(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-5-yl 3-phenylprop-2-enoate

C37H46O10 (650.3091)

(3s,3ar,4s,6s,6ar,7s,8s,9bs)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methylbut-2-enoyl)oxy]-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-7-yl octanoate

C34H50O12 (650.3302)

(2r,3r,5s,8r,9r,10r,13s)-2,9,10,13-tetrakis(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-5-yl (2e)-3-phenylprop-2-enoate

C37H46O10 (650.3091)

(1'r,2r,2's,3'r,4'as,6's,6'as,10'r,10'ar,10'bs)-1',6'-bis(acetyloxy)-4'a,6'a,10'b-trimethyl-10'-[(3-methylbutanoyl)oxy]-5''-oxo-octahydrodispiro[oxirane-2,7'-naphtho[2,1-b]pyran-3',3''-oxolan]-2'-yl 3-methylbutanoate

C34H50O12 (650.3302)

n-[1-({[(8e,10e,16z)-3,15,22,24-tetrahydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(24),2,6,8,10,16,20,22-octaen-13-yl]oxy}carbonyl)cyclopropyl]cyclohexanecarboximidic acid

C37H50N2O8 (650.3567)

(2s,3s,4r,5r)-2-{[(2r,3r,4s,5r,6r)-3-(acetyloxy)-5-(hexanoyloxy)-6-(hydroxymethyl)-4-[(2-methylpropanoyl)oxy]oxan-2-yl]oxy}-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl hexanoate

C30H50O15 (650.315)

6-[(acetyloxy)methyl]-4,5-dihydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl octadecanoate

C32H58O13 (650.3877)

(6r)-6-[(1s)-1-[(1s,3ar,3br,7r,9ar,9bs,11as)-1,3a-dihydroxy-9a,11a-dimethyl-9-oxo-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2h,3h,3bh,4h,6h,7h,8h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-hydroxyethyl]-3,4-dimethyl-5,6-dihydropyran-2-one

C34H50O12 (650.3302)

(2r,3ar,6r,7ar)-1-[(2r)-2-{[(2r)-2-(acetyloxy)-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-3-phenylpropanoyl]-n-(4-carbamimidamidobutyl)-6-hydroxy-octahydroindole-2-carboximidic acid

C34H46N6O7 (650.3428)

4,8,8,12,21,25,25,29-octamethyl-13,30-dioxanonacyclo[17.15.1.1²,¹⁴.0³,¹².0⁴,⁹.0²⁰,²⁹.0²¹,²⁶.0³¹,³⁵.0¹⁸,³⁶]hexatriaconta-1,14,18(36),19(35),31-pentaene-16,17,33,34-tetrone

C42H50O6 (650.3607)

(2r,6r,7r,10s,12r,13r,14r)-4,4,7,17,18,18-hexamethyl-11-methylidene-16-oxo-13-{[(2e)-3-phenylprop-2-enoyl]oxy}-3,5-dioxatetracyclo[12.3.1.0²,⁶.0⁷,¹²]octadec-1(17)-en-10-yl (2e)-3-phenylprop-2-enoate

C41H46O7 (650.3243)

(2s,6s,9r,11r,12s,13r,15r,16r)-2,9,13-trihydroxy-15-[(2r)-6-hydroxy-6-methyl-4-oxoheptan-2-yl]-7,7,12,16-tetramethyl-6-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}tetracyclo[9.7.0.0³,⁸.0¹²,¹⁶]octadeca-1(18),3(8)-dien-14-one

C35H54O11 (650.3666)

10a,13-dihydroxy-6,14-diisopropyl-2,2,4,4,8,8,10,10-octamethyl-12-(2-methylpropanoyl)-6a,14-dihydro-6h-5,11-dioxapentaphene-1,3,7,9-tetrone

C38H50O9 (650.3455)

(2s,3as,6r,7as)-n-[(2s,3s)-1-carbamimidoyl-2-methoxypiperidin-3-yl]-1-[(2r)-2-{[(2r)-3-(3-chloro-4-hydroxyphenyl)-1,2-dihydroxypropylidene]amino}-4-methylpentanoyl]-6-hydroxy-octahydroindole-2-carboximidic acid

C31H47ClN6O7 (650.3195)

(1r,2r,4s,5s,6s,10r,11s,12r,15r,16r,18s,19r)-4,18-bis(acetyloxy)-16-hydroxy-1,5,10,15-tetramethyl-6-[(3r)-5-oxooxolan-3-yl]-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-11-yl benzoate

C37H46O10 (650.3091)

(6r)-6-[(1r)-1-[(1s,3ar,3br,7r,9ar,9bs,11ar)-3a-hydroxy-9a,11a-dimethyl-9-oxo-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,6h,7h,8h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-hydroxyethyl]-3-(hydroxymethyl)-4-methyl-5,6-dihydropyran-2-one

C34H50O12 (650.3302)

(6s,6as,10ar,14r)-10a,13-dihydroxy-6,14-diisopropyl-2,2,4,4,8,8,10,10-octamethyl-12-(2-methylpropanoyl)-6a,14-dihydro-6h-5,11-dioxapentaphene-1,3,7,9-tetrone

C38H50O9 (650.3455)

4,18-bis(acetyloxy)-16-hydroxy-1,5,10,15-tetramethyl-6-(5-oxooxolan-3-yl)-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-11-yl benzoate

C37H46O10 (650.3091)

(1s,2r,5s,6s,7r,9r,11s,12s,15r,16s)-5,6-dihydroxy-2,16-dimethyl-15-[(1s)-1-[(2r)-4-methyl-6-oxo-5-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3-dihydropyran-2-yl]ethyl]-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-3-one

C34H50O12 (650.3302)

15-(5,6-dihydroxy-6-methyl-4-oxoheptan-2-yl)-13,18-dihydroxy-7,7,12,16-tetramethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadec-10-en-14-one

C35H54O11 (650.3666)

(1r,2r,4s,5s,6s,10r,11s,12r,15r,16r,18s,19r)-4,18-bis(acetyloxy)-16-hydroxy-1,5,10,15-tetramethyl-6-[(3s)-5-oxooxolan-3-yl]-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-11-yl benzoate

C37H46O10 (650.3091)

(1r,2r,3r,5s,8r,9r,10r,13s)-2,9,10,13-tetrakis(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-5-yl (2e)-3-phenylprop-2-enoate

C37H46O10 (650.3091)

(6s)-6-[(1r)-1-[(1r,3as,3bs,5r,5ar,9ar,9bs,11ar)-5,5a-dihydroxy-9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-hydroxyethyl]-4-methyl-3-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5,6-dihydropyran-2-one

C34H50O12 (650.3302)

2,9,13-trihydroxy-15-(6-hydroxy-6-methyl-4-oxoheptan-2-yl)-7,7,12,16-tetramethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]tetracyclo[9.7.0.0³,⁸.0¹²,¹⁶]octadeca-1(18),3(8)-dien-14-one

C35H54O11 (650.3666)

(1r,12s,13r,14e,17r,19s,21s)-14-ethylidene-17-[(1r,12s,13r,14e,19s,21s)-14-(2-hydroxyethylidene)-9-oxo-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,10-tetraen-10-yl]-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,10-tetraen-9-one

C42H42N4O3 (650.3257)

(1r,13s,14e,17r,19s,21s)-14-ethylidene-17-[(1r,12s,13r,14e,19s,21s)-14-(2-hydroxyethylidene)-9-oxo-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,10-tetraen-10-yl]-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,11-tetraen-9-one

C42H42N4O3 (650.3257)

(1r,2r,3s,4ar,4br,6bs,8s,10as,11as,11br,13ar)-3-hydroxy-1-(hydroxymethyl)-8-(methoxycarbonyl)-1,4a,8,11a,11b-pentamethyl-2-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2h,3h,4h,4bh,5h,6bh,7h,9h,10h,11h,12h,13h,13ah-indeno[2,1-a]phenanthrene-10a-carboxylic acid

C35H54O11 (650.3666)

10-{14-ethylidene-9-oxo-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,11-tetraen-17-yl}-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one

C42H42N4O3 (650.3257)

(4s,5r,7r,8r,16s,19r,22r)-8-{[(2s,4s,5r,6r)-5-{[(2s,4s,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-7-hydroxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosa-1(21),10-dien-14-one

C34H50O12 (650.3302)

(1s,4ar,4bs,7s,10ar)-1,4a,7-trimethyl-7-(2-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}ethyl)-3,4,4b,5,6,8,10,10a-octahydro-2h-phenanthrene-1-carboxylic acid

C34H50O12 (650.3302)

(6s,6ar,10as,14r)-10a,13-dihydroxy-6,14-diisopropyl-2,2,4,4,8,8,10,10-octamethyl-12-(2-methylpropanoyl)-6a,14-dihydro-6h-5,11-dioxapentaphene-1,3,7,9-tetrone

C38H50O9 (650.3455)

3-[(3-{[(3s,4s,5r)-4,5-dihydroxy-6-methyl-3-{[(3s,4s,5r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}decanoyl)oxy]decanoic acid

C32H58O13 (650.3877)

1,4a,7-trimethyl-7-(2-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}ethyl)-3,4,4b,5,6,8,10,10a-octahydro-2h-phenanthrene-1-carboxylic acid

C34H50O12 (650.3302)

1',6'-bis(acetyloxy)-4'a,6'a,10'b-trimethyl-10'-[(3-methylbutanoyl)oxy]-5''-oxo-octahydrodispiro[oxirane-2,7'-naphtho[2,1-b]pyran-3',3''-oxolan]-2'-yl 3-methylbutanoate

C34H50O12 (650.3302)

6-[1-(3a-hydroxy-9a,11a-dimethyl-9-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,6h,7h,8h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl)-1-hydroxyethyl]-3-(hydroxymethyl)-4-methyl-5,6-dihydropyran-2-one

C34H50O12 (650.3302)

6,8-dihydroxy-7-[1-(2-hydroxy-3,3,5,5-tetramethyl-4,6-dioxocyclohex-1-en-1-yl)-2-methylpropyl]-9-isopropyl-2,2,4,4-tetramethyl-5-(2-methylpropanoyl)-9h-xanthene-1,3-dione

C38H50O9 (650.3455)

3-hydroxy-1-(hydroxymethyl)-8-(methoxycarbonyl)-1,4a,8,11a,11b-pentamethyl-2-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2h,3h,4h,4bh,5h,6bh,7h,9h,10h,11h,12h,13h,13ah-indeno[2,1-a]phenanthrene-10a-carboxylic acid

C35H54O11 (650.3666)

(3r)-3-{[(3r)-3-{[(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}decanoyl]oxy}decanoic acid

C32H58O13 (650.3877)

(1s,3s,8r)-2,9,10,13-tetrakis(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-5-yl 3-phenylprop-2-enoate

C37H46O10 (650.3091)

(1r,12s,13r,14z,17r,19s,21s)-14-ethylidene-17-[(1r,12s,13r,14z,19s,21s)-14-(2-hydroxyethylidene)-9-oxo-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,10-tetraen-10-yl]-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,10-tetraen-9-one

C42H42N4O3 (650.3257)

14-ethylidene-17-[14-(2-hydroxyethylidene)-9-oxo-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,10-tetraen-10-yl]-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,11-tetraen-9-one

C42H42N4O3 (650.3257)

(1s,3r,6s,8r,12r,13r,15r,16r,18s)-15-[(2r,5r)-5,6-dihydroxy-6-methyl-4-oxoheptan-2-yl]-13,18-dihydroxy-7,7,12,16-tetramethyl-6-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadec-10-en-14-one

C35H54O11 (650.3666)

8-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-7-hydroxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosa-1(21),10-dien-14-one

C34H50O12 (650.3302)

(2s,3as,6r,7as)-n-[(2r,3s)-1-carbamimidoyl-2-methoxypiperidin-3-yl]-1-[(2r)-2-{[(2r)-3-(3-chloro-4-hydroxyphenyl)-1,2-dihydroxypropylidene]amino}-4-methylpentanoyl]-6-hydroxy-octahydroindole-2-carboximidic acid

C31H47ClN6O7 (650.3195)

(1r,10s,11r,18s,20r,21r,22s)-10-[(1r,12s,13r,14z,17r,19s,21s)-14-ethylidene-9-oxo-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,10-tetraen-17-yl]-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one

C42H42N4O3 (650.3257)

1-[(1s,2s,4s,8s,9s,12s,13r,14r,16r)-14-{[(2s,3r,4s,5s)-4,5-dihydroxy-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-16-hydroxy-9,13-dimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-6,18-dien-7-yl]ethanone

C34H50O12 (650.3302)

(1r,3s,5r,7s,8r,9r,10r,13s)-7,9,10,13-tetrakis(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-5-yl (2e)-3-phenylprop-2-enoate

C37H46O10 (650.3091)

(2r,3r,4s,5r,6r)-5-hydroxy-2-{[(2s,3s,4r,5r)-4-hydroxy-2,5-bis(hydroxymethyl)-3-{[(2s)-2-methylbutanoyl]oxy}oxolan-2-yl]oxy}-6-(hydroxymethyl)-4-[(2-methylpropanoyl)oxy]oxan-3-yl decanoate

C31H54O14 (650.3513)

(9r)-6,8-dihydroxy-7-[(1s)-1-(2-hydroxy-3,3,5,5-tetramethyl-4,6-dioxocyclohex-1-en-1-yl)-2-methylpropyl]-9-isopropyl-2,2,4,4-tetramethyl-5-(2-methylpropanoyl)-9h-xanthene-1,3-dione

C38H50O9 (650.3455)

11-hydroxy-9-(hydroxymethyl)-2-(methoxycarbonyl)-2,6a,6b,12a-tetramethyl-9-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

C35H54O11 (650.3666)

(1r,10s,11r,18s,20r,21r,22s)-10-[(1r,12s,13r,14e,17r,19s,21s)-14-ethylidene-9-oxo-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,10-tetraen-17-yl]-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one

C42H42N4O3 (650.3257)

1-(2-{[2-(acetyloxy)-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-3-phenylpropanoyl)-n-(4-carbamimidamidobutyl)-6-hydroxy-octahydroindole-2-carboximidic acid

C34H46N6O7 (650.3428)

14-ethylidene-17-[(14e)-14-(2-hydroxyethylidene)-9-oxo-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,10-tetraen-10-yl]-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,11-tetraen-9-one

C42H42N4O3 (650.3257)

10-{14-ethylidene-9-oxo-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,10-tetraen-17-yl}-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one

C42H42N4O3 (650.3257)

(6r)-6-[(1r)-1-[(1r,3as,3bs,5r,5ar,9ar,9bs,11as)-5,5a-dihydroxy-9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-hydroxyethyl]-4-methyl-3-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5,6-dihydropyran-2-one

C34H50O12 (650.3302)

(6r)-6-[(1r)-1-[(5r,5ar)-5,5a-dihydroxy-9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-hydroxyethyl]-4-methyl-3-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5,6-dihydropyran-2-one

C34H50O12 (650.3302)

(1r,10s,11r,18s,20r,21r,22s)-10-[(1r,13r,14e,17r,19s,21s)-14-ethylidene-9-oxo-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,10-tetraen-17-yl]-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one

C42H42N4O3 (650.3257)