Exact Mass: 618.3159

Exact Mass Matches: 618.3159

Found 302 metabolites which its exact mass value is equals to given mass value 618.3159, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Bryotoxin A

[2-[[10-formyl-5,11,14-trihydroxy-13-methyl-12-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-6-methyloxan-4-yl] acetate

C32H42O12 (618.2676)

A bufadienolide glycoside that is 3,5,11,14-tetrahydroxy-12,19-dioxobufa-20,22-dienolide attached to a 3-O-acetyl-4,6-dideoxy-beta-D-arabino-hexopyranosyl residue at position 3 via a glycosidic linkage. D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002018 - Bufanolides

BILA 2185BS

C35H46N4O4S (618.324)

APC

7-Ethyl-10-(4-N-aminopentanoic acid)-1-piperidino)carbonyloxycamptothecin

C33H38N4O8 (618.269)

Minosaminomycin

(2S)-2-[[(2S)-3-[(4R)-2-amino-4,5-dihydro-1H-imidazol-4-yl]-1-[[(2S,3S,5R,6S)-4-[(2R,3S,5S,6R)-3,5-diamino-6-methyloxan-2-yl]oxy-2,3,5,6-tetrahydroxycyclohexyl]amino]-1-oxopropan-2-yl]carbamoylamino]-4-methylpentanoic acid

C25H46N8O10 (618.3337)

Z-Ile-Glu(O-t-butyl)-Ala-Leucinal

2-{[(benzyloxy)(hydroxy)methylidene]amino}-N-[4-(tert-butoxy)-1-({1-[(4-methyl-1-oxopentan-2-yl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)-4-oxobutyl]-3-methylpentanimidate

C32H50N4O8 (618.3628)

D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase Inhibitors

PI(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)

[2-hydroxy-3-(icosa-5,8,11,14,17-pentaenoyloxy)propoxy][(2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphinic acid

C29H47O12P (618.2805)

PA(8:0/20:3(8Z,11Z,14Z)-2OH(5,6))

[(2R)-2-{[(8Z,11Z,14Z)-5,6-dihydroxyicosa-8,11,14-trienoyl]oxy}-3-(octanoyloxy)propoxy]phosphonic acid

C31H55O10P (618.3533)

PA(8:0/20:3(8Z,11Z,14Z)-2OH(5,6)) 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(8:0/20:3(8Z,11Z,14Z)-2OH(5,6)), in particular, consists of one chain of one octanoyl at the C-1 position and one chain of 5,6-dihydroxyeicosatrienoyl 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(20:3(8Z,11Z,14Z)-2OH(5,6)/8:0)

[(2R)-3-{[(8Z,11Z,14Z)-5,6-dihydroxyicosa-8,11,14-trienoyl]oxy}-2-(octanoyloxy)propoxy]phosphonic acid

C31H55O10P (618.3533)

PA(20:3(8Z,11Z,14Z)-2OH(5,6)/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(20:3(8Z,11Z,14Z)-2OH(5,6)/8:0), in particular, consists of one chain of one 5,6-dihydroxyeicosatrienoyl 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).

Petuniasterone B 22-O-<(methylthio)-carbonyl>acetate < (22R,24S)-1alpha-acetoxy-24,25-epoxy-7alpha-hydroxy-22-(methylthiocarbonyl)acetoxyoergost-4-en-3-one >|Petuniasterone B 22-O-[(methylthio)-carbonyl]acetate [ (22R,24S)-1alpha-acetoxy-24,25-epoxy-7alpha-hydroxy-22-(methylthiocarbonyl)acetoxyoergost-4-en-3-one ]

Petuniasterone B 22-O-<(methylthio)-carbonyl>acetate < (22R,24S)-1alpha-acetoxy-24,25-epoxy-7alpha-hydroxy-22-(methylthiocarbonyl)acetoxyoergost-4-en-3-one >|Petuniasterone B 22-O-[(methylthio)-carbonyl]acetate [ (22R,24S)-1alpha-acetoxy-24,25-epoxy-7alpha-hydroxy-22-(methylthiocarbonyl)acetoxyoergost-4-en-3-one ]

C34H50O8S (618.3226)

taccalonolide Q

C32H42O12 (618.2676)

C32H42O12

C32H42O12 (618.2676)

(2R,3R,4S,5R,7S,8R,13R,15R)-3,5,7,15-tetraacetoxy-8-isobutyroyloxy-9,14-dioxo-jatropha-6(17),11E-diene

C33H46O11 (618.304)

(1S,5S,7R)-3-(3,4-dihydroxybenzoyl)-4-hydroxy-5-[(E)-4-hydroxy-3,7-dimethylocta-2,6-dienyl]-8,8-dimethyl-1,7-bis(3-methylbut-2-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione|32-hydroxy-ent-guttiferone M

C38H50O7 (618.3556)

C34H42N4O7

C34H42N4O7 (618.3053)

1-O-cinnamoyl-17-defurano-17-(2-buten-4-olide-2-yl)salannic acid methyl ester|ohchininolide

C36H42O9 (618.2829)

nujiangefolin C

C38H50O7 (618.3556)

C34H50O10

C34H50O10 (618.3404)

thorelione B

C38H50O7 (618.3556)

14beta-hydroxy-19beta-oxobufa-4,20,22-trienolide-16alpha-O-acetyl-3beta-O-beta-D-glucopyranoside|urginin B

C32H42O12 (618.2676)

stelleracin B

12-O-benzoylphorbol 13-(4Z,7Z)decadienoate

C37H46O8 (618.3193)

1-O-decinnamoyl-1-O-benzoylohchinin acetate

C36H42O9 (618.2829)

taccalonolide M

C32H42O12 (618.2676)

3R/S-hydroxy-N4-demethyltabernamine

C39H46N4O3 (618.357)

4-acetoxy-1beta-(2-methylbutyryloxy)-14-desacetoxy-3,14-dehydro-8,10-epoxyabrotanifolone

C33H46O11 (618.304)

symphonone G

C38H50O7 (618.3556)

(21alpha)-21-hydroxythyrsiferol|(alpha(2)S,2R,4S,5R)-;alpha;(2)-{(3S)-3-{(2R,4aR,6R,8aS)-6-[(2S,5R)-5-bromotetrahydro-2,6,6-trimethyl-2H-pyran-2-yl]octahydro-8a-methylpyrano[3,2-b]pyran-2-yl}-3-hydroxybutyl}tetrahydro-4-hydroxy-alpha(5),alpha(5),2-trimethylfuran-2,5-dimethanol

(21alpha)-21-hydroxythyrsiferol|(alpha(2)S,2R,4S,5R)-;alpha;(2)-{(3S)-3-{(2R,4aR,6R,8aS)-6-[(2S,5R)-5-bromotetrahydro-2,6,6-trimethyl-2H-pyran-2-yl]octahydro-8a-methylpyrano[3,2-b]pyran-2-yl}-3-hydroxybutyl}tetrahydro-4-hydroxy-alpha(5),alpha(5),2-trimethylfuran-2,5-dimethanol

C31H55BrO7 (618.3131)

C36H42O9

C36H42O9 (618.2829)

Azadirachtin I

C32H42O12 (618.2676)

1beta-isobutyryloxy-2beta,6alpha,15-triacetoxy-9alpha-benzoyloxy-4alpha-hydroxydihydro-beta-agarofuran

C32H42O12 (618.2676)

paucinone d

C38H50O7 (618.3556)

16beta-Acetoxy-5-beta-D-glucopyranosyloxy-14-hydroxy-19-oxo-5beta,14beta-bufa-3,20,22-trienolid|16beta-acetoxy-5-beta-D-glucopyranosyloxy-14-hydroxy-19-oxo-5beta,14beta-bufa-3,20,22-trienolide|scillicyanoside

16beta-Acetoxy-5-beta-D-glucopyranosyloxy-14-hydroxy-19-oxo-5beta,14beta-bufa-3,20,22-trienolid|16beta-acetoxy-5-beta-D-glucopyranosyloxy-14-hydroxy-19-oxo-5beta,14beta-bufa-3,20,22-trienolide|scillicyanoside

C32H42O12 (618.2676)

cuscutic resinoside A

C31H54O12 (618.3615)

garcimultiflorone E

C38H50O7 (618.3556)

guangomide A|spicellamide B

C31H46N4O9 (618.3265)

thapsivillosin H

C32H42O12 (618.2676)

pseudoverticin

C32H46N2O10 (618.3152)

Scillicyanoside

C32H42O12 (618.2676)

11-benzoyl-14-([E]-3,7-dimethyl-2,6-octadienyl)-3-(1-hydroxy-1-methylethyl)-6,6,10,10-tetramethyl-4,5-dioxatetracyclo[7,3,3,1(11,14)0(1,7)]hexadecane-12,13,16-trione|otogirinin B

C38H50O7 (618.3556)

Alphitexolide

C38H50O7 (618.3556)

bengamide D

C29H50N2O12 (618.3364)

petuniasterone E

C34H50O8S (618.3226)

Glu Ser Leu Glu Lys

C26H46N6O11 (618.3224)

Pro Tyr Pro Arg Ser

C28H42N8O8 (618.3125)

Asp Gln Leu Thr Glu

C25H42N6O12 (618.2861)

Lys Leu Thr Asp Glu

C26H46N6O11 (618.3224)

[9-[(E)-3-acetyloxy-4-methylhex-4-en-2-yl]-12-hydroxy-3-(2-hydroxypropan-2-yl)-10-methoxy-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-1-yl] acetate

NCGC00386086-01![9-[(E)-3-acetyloxy-4-methylhex-4-en-2-yl]-12-hydroxy-3-(2-hydroxypropan-2-yl)-10-methoxy-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-1-yl] acetate

C33H46O11 (618.304)

Desferrioxamine G1

C27H50N6O10 (618.3588)

Asp Ile Trp Trp

(3S)-3-amino-3-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}propanoic acid

C32H38N6O7 (618.2802)

Asp Leu Trp Trp

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}propanoic acid

C32H38N6O7 (618.2802)

Asp Trp Ile Trp

(3S)-3-amino-3-{[(1S)-1-{[(1S,2S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C32H38N6O7 (618.2802)

Asp Trp Leu Trp

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C32H38N6O7 (618.2802)

Asp Trp Trp Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanoic acid

C32H38N6O7 (618.2802)

Asp Trp Trp Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanoic acid

C32H38N6O7 (618.2802)

Glu Glu Arg Trp

(4S)-4-[(2S)-2-amino-4-carboxybutanamido]-4-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]carbamoyl}butanoic acid

C27H38N8O9 (618.2762)

Glu Glu Trp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C27H38N8O9 (618.2762)

Glu Arg Glu Trp

(4S)-4-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-5-carbamimidamidopentanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C27H38N8O9 (618.2762)

Glu Arg Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C27H38N8O9 (618.2762)

Glu Val Trp Trp

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid

C32H38N6O7 (618.2802)

Glu Trp Glu Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-5-carbamimidamidopentanoic acid

C27H38N8O9 (618.2762)

Glu Trp Arg Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]pentanedioic acid

C27H38N8O9 (618.2762)

Glu Trp Val Trp

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C32H38N6O7 (618.2802)

Glu Trp Trp Val

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C32H38N6O7 (618.2802)

Ile Asp Trp Trp

(3S)-3-[(2S,3S)-2-amino-3-methylpentanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C32H38N6O7 (618.2802)

Ile Trp Asp Trp

(3S)-3-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C32H38N6O7 (618.2802)

Ile Trp Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C32H38N6O7 (618.2802)

Leu Asp Trp Trp

(3S)-3-[(2S)-2-amino-4-methylpentanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C32H38N6O7 (618.2802)

Leu Trp Asp Trp

(3S)-3-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C32H38N6O7 (618.2802)

Leu Trp Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C32H38N6O7 (618.2802)

Arg Glu Glu Trp

(4S)-4-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-carboxybutanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C27H38N8O9 (618.2762)

Arg Glu Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C27H38N8O9 (618.2762)

Arg Trp Glu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]pentanedioic acid

C27H38N8O9 (618.2762)

Val Glu Trp Trp

(4S)-4-[(2S)-2-amino-3-methylbutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C32H38N6O7 (618.2802)

Val Trp Glu Trp

(4S)-4-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C32H38N6O7 (618.2802)

Val Trp Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C32H38N6O7 (618.2802)

Trp Asp Ile Trp

(3S)-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-{[(1S,2S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}propanoic acid

C32H38N6O7 (618.2802)

Trp Asp Leu Trp

(3S)-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}propanoic acid

C32H38N6O7 (618.2802)

Trp Asp Trp Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanoic acid

C32H38N6O7 (618.2802)

Trp Asp Trp Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanoic acid

C32H38N6O7 (618.2802)

Trp Glu Glu Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-4-carboxybutanamido]-5-carbamimidamidopentanoic acid

C27H38N8O9 (618.2762)

Trp Glu Arg Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-5-carbamimidamidopentanamido]pentanedioic acid

C27H38N8O9 (618.2762)

Trp Glu Val Trp

(4S)-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid

C32H38N6O7 (618.2802)

Trp Glu Trp Val

(4S)-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C32H38N6O7 (618.2802)

Trp Ile Asp Trp

(3S)-3-[(2S,3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C32H38N6O7 (618.2802)

Trp Ile Trp Asp

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C32H38N6O7 (618.2802)

Trp Leu Asp Trp

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C32H38N6O7 (618.2802)

Trp Leu Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C32H38N6O7 (618.2802)

Trp Arg Glu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-4-carboxybutanamido]pentanedioic acid

C27H38N8O9 (618.2762)

Trp Val Glu Trp

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C32H38N6O7 (618.2802)

Trp Val Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C32H38N6O7 (618.2802)

Trp Trp Asp Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-methylpentanoic acid

C32H38N6O7 (618.2802)

Trp Trp Asp Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-4-methylpentanoic acid

C32H38N6O7 (618.2802)

Trp Trp Glu Val

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}butanoic acid

C32H38N6O7 (618.2802)

Trp Trp Ile Asp

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]butanedioic acid

C32H38N6O7 (618.2802)

Trp Trp Leu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]butanedioic acid

C32H38N6O7 (618.2802)

Trp Trp Val Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]pentanedioic acid

C32H38N6O7 (618.2802)

PYPRS

Pro Tyr Pro Arg Ser

C28H42N8O8 (618.3125)

LAMER

Leu Ala Met Glu Arg

C25H46N8O8S (618.3159)

PI(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)

1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phospho-(1-myo-inositol)

C29H47O12P (618.2805)

desferrioxamine G

32-amino-5,16,27-trihydroxy-4,12,15,23,26-pentaoxo-5,11,16,22,27-pentaazadotriacontan-1-oic acid

C27H50N6O10 (618.3588)

LPI 20:5

1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phospho-(1-myo-inositol)

C29H47O12P (618.2805)

PKODA-PA

1-hexadecanoyl-2-(9,12-dioxo-10E-dodecenoyl)-sn-glycero-3-phosphate

C31H55O10P (618.3533)

2,2-DI(4-TERT-OCTYLPHENYL)-1-PICRYL-HYDRAZYL, FREE RADICAL

C34H44N5O6 (618.3291)

tris(2,2,6,6-tetramethyl-3,5-heptanedionato)gallium(iii)

C33H57GaO6 (618.3411)

4-Di-10-ASP

C34H55IN2 (618.341)

Amicetin

C29H42N6O9 (618.3013)

Z-Ile-Glu(OtBu)-Ala-Leu-aldehyde

C32H50N4O8 (618.3628)

(E)-(S)-4-[(S)-4-Methyl-2-((S)-3-methyl-2{(S)-2-[(5-methyl-isoxazole-3-carbonyl)-amino]-propionylamino}-butyrylamino)-pentanoylamino]-5-((S)-2-oxo-pyrrolidin-3-YL)-pent-2-enoic acid ethyl ester

C30H46N6O8 (618.3377)

deferrioxamine G

C27H50N6O10 (618.3588)

6-deamino-6-oxoneomycin C

C23H48N5O14+5 (618.3198)

6-Oxoparomomycin

C23H46N4O15+4 (618.296)

PA(8:0/20:3(8Z,11Z,14Z)-2OH(5,6))

C31H55O10P (618.3533)

PA(20:3(8Z,11Z,14Z)-2OH(5,6)/8:0)

C31H55O10P (618.3533)

[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoate

C29H47O12P (618.2805)

2-[[(2R)-3-acetyloxy-2-[(5R,6Z,8E,10E,12S,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C30H53NO10P+ (618.3407)

2-[[(2R)-2-acetyloxy-3-[(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C30H53NO10P+ (618.3407)

2-[[(2R)-3-acetyloxy-2-[(5S,6E,8Z,11Z,13E,15R)-5,15-dihydroxyicosa-6,8,11,13-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C30H53NO10P+ (618.3407)

2-[[(2R)-2-acetyloxy-3-[(5R,6E,8Z,11Z,13E,15S)-5,15-dihydroxyicosa-6,8,11,13-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C30H53NO10P+ (618.3407)

2-[[(2R)-3-acetyloxy-2-[(5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxyicosa-8,11,14,17-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C30H53NO10P+ (618.3407)

2-[[(2R)-2-acetyloxy-3-[(5S,6S,8Z,11Z,14Z,17Z)-5,6-dihydroxyicosa-8,11,14,17-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C30H53NO10P+ (618.3407)

Guangomide A

C31H46N4O9 (618.3265)

A natural product found in Trichothecium speciesMSX 51320.

32-Hydroxy-ent-guttiferone M

C38H50O7 (618.3556)

A natural product found in Rheedia edulis.

6beta-acetoxy-3beta-(beta-D-glucopyranosyloxy)-8alpha,14-dihydroxybufa-4,20,22-trienolide

C33H46O11 (618.304)

Ac-Glu-Ser-Thr-Leu-Gln-OH

C25H42N6O12 (618.2861)

S-linoleoyl-4-phosphopantetheine(2-)

C29H51N2O8PS-2 (618.3104)

1-(1,3-benzodioxol-5-yl)-3-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea

C33H38N4O8 (618.269)

(4R,7R,8S)-14-(cyclohexanecarbonylamino)-8-methoxy-4,7,10-trimethyl-11-oxo-N-[4-(trifluoromethyl)phenyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide

C32H41F3N4O5 (618.3029)

S-[2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]ethyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienethioate

C29H51N2O8PS (618.3104)

[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

C29H47O12P (618.2805)

Smgdg O-18:5_2:0

C29H46O12S (618.271)

2-(3-((Z)-3-Tributylstannyl-1-propenoxy)-(2R,3S,5AR,6AS,10AR,12AS)-tetrahydropyrano(3,2-B)oxepano(2,3:6,7)oxepan-2-YL)ethanal

C30H58O5Sn (618.3306)

[9-[(E)-3-acetyloxy-4-methylhex-4-en-2-yl]-12-hydroxy-3-(2-hydroxypropan-2-yl)-10-methoxy-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-1-yl] acetate

C33H46O11 (618.304)

[1-hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (11Z,14Z,17Z)-icosa-11,14,17-trienoate

C31H55O10P (618.3533)

[1-[(2-heptanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

C31H55O10P (618.3533)

[1-hydroxy-3-[hydroxy-(3-hydroxy-2-nonanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate

C31H55O10P (618.3533)

[1-hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate

C31H55O10P (618.3533)

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-heptanoyloxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

C31H55O10P (618.3533)

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate

C31H55O10P (618.3533)

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-nonanoyloxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate

C31H55O10P (618.3533)

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (11Z,14Z,17Z)-icosa-11,14,17-trienoate

C31H55O10P (618.3533)

[1-[(6E,9E,12E)-pentadeca-6,9,12-trienoyl]oxy-3-phosphonooxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate

C34H51O8P (618.3321)

(2S)-2-[[(2S)-3-[(4R)-2-amino-4,5-dihydro-1H-imidazol-4-yl]-1-[[(2S,3S,5R,6S)-4-[(2R,3S,5S,6R)-3,5-diamino-6-methyloxan-2-yl]oxy-2,3,5,6-tetrahydroxycyclohexyl]amino]-1-oxopropan-2-yl]carbamoylamino]-4-methylpentanoic acid

C25H46N8O10 (618.3337)

APC

C33H38N4O8 (618.269)

SMGDG O-20:5

C29H46O12S (618.271)

SQDG 20:4

C29H46O12S (618.271)

DGMG 14:4

C29H46O14 (618.2887)

SQMG 21:4

C30H50O11S (618.3074)

DGGA 22:1;O

C31H54O12 (618.3615)

MGGA 25:7

C34H50O10 (618.3404)

PA O-28:4;O3

C31H55O10P (618.3533)

PA P-16:0/12:3;O3

C31H55O10P (618.3533)

PA P-16:1/12:2;O3

C31H55O10P (618.3533)

PA P-20:0/8:3;O3

C31H55O10P (618.3533)

PA P-20:1/8:2;O3

C31H55O10P (618.3533)

PA 16:0/12:3;O2

C31H55O10P (618.3533)

PA 16:1/11:3;O3

C30H51O11P (618.3169)

PA 16:1/12:2;O2

C31H55O10P (618.3533)

PA 20:0/8:3;O2

C31H55O10P (618.3533)

PA 20:1/7:3;O3

C30H51O11P (618.3169)

PA 20:1/8:2;O2

C31H55O10P (618.3533)

PA 20:2/7:2;O3

C30H51O11P (618.3169)

PA 20:2/8:1;O2

C31H55O10P (618.3533)

PA 22:6/8:3;O

C33H47O9P (618.2958)

PA 27:4;O3

C30H51O11P (618.3169)

PA 30:9;O

C33H47O9P (618.2958)

LPGP 20:1

C26H52O12P2 (618.2934)

PG O-24:5;O2

C30H51O11P (618.3169)

PG O-25:4;O

C31H55O10P (618.3533)

PG P-16:1/8:3;O2

C30H51O11P (618.3169)

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

C31H55O10P (618.3533)

PG 14:1/9:4;O2

C29H47O12P (618.2805)

PG 16:1/8:3;O

C30H51O11P (618.3169)

PG 18:2/6:2;O

C30H51O11P (618.3169)

PG 18:4/5:1;O2

C29H47O12P (618.2805)

PG 20:3/4:1;O

C30H51O11P (618.3169)

PG 23:5;O2

C29H47O12P (618.2805)

PG 24:4;O

C30H51O11P (618.3169)

PG 3:0_22:3

C31H55O10P (618.3533)

PEth 29:8

C34H51O8P (618.3321)

PM 30:8

C34H51O8P (618.3321)

ST 23:1;O8;GlcA

C29H46O14 (618.2887)

ST 24:0;O7;GlcA

C30H50O13 (618.3251)

ST 26:6;O6;GlcA

C32H42O12 (618.2676)

ST 27:5;O5;GlcA

C33H46O11 (618.304)

ST 28:4;O4;GlcA

C34H50O10 (618.3404)

ST 24:1;O8;Hex

C30H50O13 (618.3251)

ST 25:0;O7;Hex

C31H54O12 (618.3615)

ST 26:7;O7;Hex

C32H42O12 (618.2676)

ST 27:6;O6;Hex

C33H46O11 (618.304)

ST 28:5;O5;Hex

C34H50O10 (618.3404)

MC3482

C33H38N4O8 (618.269)

MC3482 is a specific sirtuin5 (SIRT5) inhibitor.

PAR-4 (1-6) amide (human)

C28H42N8O8 (618.3125)

PAR-4 (1-6) amide human is an N-terminal fragment of protease-activated receptor 4 (PAR4). PAR-4 (1-6) amide human induce platelet aggregation[1].

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

C32H42O12 (618.2676)

(1s,3r,8s,10s)-6-(3,4-dihydroxybenzoyl)-3-(2-hydroxypropan-2-yl)-11,11-dimethyl-8-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-10-(3-methylbut-2-en-1-yl)-4-oxatricyclo[6.3.1.0¹,⁵]dodec-5-ene-7,12-dione

(1s,3r,8s,10s)-6-(3,4-dihydroxybenzoyl)-3-(2-hydroxypropan-2-yl)-11,11-dimethyl-8-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-10-(3-methylbut-2-en-1-yl)-4-oxatricyclo[6.3.1.0¹,⁵]dodec-5-ene-7,12-dione

C38H50O7 (618.3556)

9a-formyl-3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-5a-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate

C32H42O12 (618.2676)

2-({[1-({4-[(3,5-diamino-6-methyloxan-2-yl)oxy]-2,3,5,6-tetrahydroxycyclohexyl}-c-hydroxycarbonimidoyl)-2-(2-iminoimidazolidin-4-yl)ethyl]-c-hydroxycarbonimidoyl}amino)-4-methylpentanoic acid

C25H46N8O10 (618.3337)

(4as,5r,8ar)-5-{[(1r,3s,4ar,5r,8as)-3-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl}-4a-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione

(4as,5r,8ar)-5-{[(1r,3s,4ar,5r,8as)-3-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl}-4a-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione

C36H42O9 (618.2829)

4-hydroxy-9a,11a-dimethyl-7-oxo-1-(1-{5,6,6-trimethyl-1-[2-(methylsulfanyl)-2-oxoethyl]-2,7,8-trioxabicyclo[3.2.1]octan-3-yl}ethyl)-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-9-yl acetate

4-hydroxy-9a,11a-dimethyl-7-oxo-1-(1-{5,6,6-trimethyl-1-[2-(methylsulfanyl)-2-oxoethyl]-2,7,8-trioxabicyclo[3.2.1]octan-3-yl}ethyl)-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-9-yl acetate

C34H50O8S (618.3226)

(1s,3r,9r,11s)-7-(3,4-dihydroxybenzoyl)-3-[(1e)-3-hydroxy-3-methylbut-1-en-1-yl]-4,4,10,10-tetramethyl-9,11-bis(3-methylbut-2-en-1-yl)-5-oxatricyclo[7.3.1.0¹,⁶]tridec-6-ene-8,13-dione

C38H50O7 (618.3556)

(1s,2r,4r,5r,7s,9s,10r,11s,12s,14s,15r,16s,17r,19s,22s,23r,24r)-14-(acetyloxy)-4,5,22-trihydroxy-11,15,17,22,23-pentamethyl-3,21,25-trioxo-8,20-dioxaheptacyclo[13.10.0.0²,¹².0⁵,¹¹.0⁷,⁹.0¹⁶,²⁴.0¹⁹,²³]pentacosan-10-yl acetate

(1s,2r,4r,5r,7s,9s,10r,11s,12s,14s,15r,16s,17r,19s,22s,23r,24r)-14-(acetyloxy)-4,5,22-trihydroxy-11,15,17,22,23-pentamethyl-3,21,25-trioxo-8,20-dioxaheptacyclo[13.10.0.0²,¹².0⁵,¹¹.0⁷,⁹.0¹⁶,²⁴.0¹⁹,²³]pentacosan-10-yl acetate

C32H42O12 (618.2676)

4-(2-amino-3-hydroxy-2-methylpropanamido)-n-[1-(5-{[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)-2-hydroxypyrimidin-4-ylidene]benzamide

C29H42N6O9 (618.3013)

6-(3,4-dihydroxybenzoyl)-3-(2-hydroxypropan-2-yl)-11,11-dimethyl-8-[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-10-(3-methylbut-2-en-1-yl)-4-oxatricyclo[6.3.1.0¹,⁵]dodec-5-ene-7,12-dione

C38H50O7 (618.3556)

(1s,3r,9r,11r)-7-(3,4-dihydroxybenzoyl)-3-[(1e)-3-hydroxy-3-methylbut-1-en-1-yl]-4,4,10,10-tetramethyl-9,11-bis(3-methylbut-2-en-1-yl)-5-oxatricyclo[7.3.1.0¹,⁶]tridec-6-ene-8,13-dione

C38H50O7 (618.3556)

7-(3,4-dihydroxybenzoyl)-11-(3-hydroxy-3-methylbut-1-en-1-yl)-4,4,10,10-tetramethyl-3,9-bis(3-methylbut-2-en-1-yl)-5-oxatricyclo[7.3.1.0¹,⁶]tridec-6-ene-8,13-dione

C38H50O7 (618.3556)

3-[9-(acetyloxy)-4-hydroxy-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-(2,3,3-trimethyloxiran-2-yl)butan-2-yl 3-(methylsulfanyl)-3-oxopropanoate

C34H50O8S (618.3226)

(3s,6s,9s,12r,15r,18s)-15-benzyl-5,14-dihydroxy-6-(2-hydroxypropan-2-yl)-3,9,10,12,16-pentamethyl-18-(2-methylpropyl)-1,7-dioxa-4,10,13,16-tetraazacyclooctadeca-4,13-diene-2,8,11,17-tetrone

C31H46N4O9 (618.3265)

(1r,2s,3as,3br,5as,9as,9bs,11ar)-9a-formyl-3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-5a-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate

(1r,2s,3as,3br,5as,9as,9bs,11ar)-9a-formyl-3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-5a-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate

C32H42O12 (618.2676)

1-deoxy-3-methacrylyl-11-methoxymeliacar-pinin

C32H42O12 (618.2676)

{"Ingredient_id": "HBIN002475","Ingredient_name": "1-deoxy-3-methacrylyl-11-methoxymeliacar-pinin","Alias": "NA","Ingredient_formula": "C32H42O12","Ingredient_Smile": "CC(=C)C(=O)OC1CCC23COC(C2C4(C(C5C3C1(CO5)C)OC6(C4(C7CC6C8(C=COC8O7)O)O)C)C)(C(=O)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5193","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

1-deoxy-3-methacrylyl-11-methoxymeliacarpnin

C32H42O12 (618.2676)

{"Ingredient_id": "HBIN002476","Ingredient_name": "1-deoxy-3-methacrylyl-11-methoxymeliacarpnin","Alias": "NA","Ingredient_formula": "C32H42O12","Ingredient_Smile": "NA","Ingredient_weight": "618.677","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9219","PubChem_id": "NA","DrugBank_id": "NA"}

Azadirachtin I

C32H42O12 (618.2676)

{"Ingredient_id": "HBIN017430","Ingredient_name": "Azadirachtin I","Alias": "NA","Ingredient_formula": "C32H42O12","Ingredient_Smile": "CC=C(C)C(=O)OC1CC(C2(COC3C2C14COC(C4C(C3O)(C)C56C7CC(C5(O6)C)C8(C=COC8O7)O)O)C)OC(=O)C","Ingredient_weight": "618.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32765","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "76309325","DrugBank_id": "NA"}

(2r,5s)-2-[(4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-4h,4ah,6h,7h,8h-pyrano[3,2-b]pyran-2-yl]-5-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pentane-1,2,5-triol

C30H51BrO8 (618.2767)

3-(3,4-dihydroxybenzoyl)-4-hydroxy-5-(4-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)-8,8-dimethyl-1,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione

C38H50O7 (618.3556)

15-benzyl-5,14-dihydroxy-6-(2-hydroxypropan-2-yl)-3,9,10,12,16-pentamethyl-18-(2-methylpropyl)-1,7-dioxa-4,10,13,16-tetraazacyclooctadeca-4,13-diene-2,8,11,17-tetrone

C31H46N4O9 (618.3265)

8-(3,4-dihydroxybenzoyl)-4-(2-hydroxypropan-2-yl)-9,9-dimethyl-10-[5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-1-(3-methylbut-2-en-1-yl)-3-oxatricyclo[6.3.1.0²,⁶]dodec-2(6)-ene-7,12-dione

C38H50O7 (618.3556)

4-hydroxy-8-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-3-(2,4,5-trihydroxybenzoyl)bicyclo[3.3.1]non-3-ene-2,9-dione

C38H50O7 (618.3556)

(1s,5s,7r,8s)-4-hydroxy-8-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-3-(2,4,5-trihydroxybenzoyl)bicyclo[3.3.1]non-3-ene-2,9-dione

C38H50O7 (618.3556)

4,6,11,12-tetrahydroxy-4,18,18-trimethyl-3,17,19-tris(3-methylbut-2-en-1-yl)-15-oxapentacyclo[15.3.1.0¹,⁶.0⁷,¹⁶.0⁹,¹⁴]henicosa-7(16),9,11,13-tetraene-8,21-dione

C38H50O7 (618.3556)

[(1r,2s,8r,9s,10s,12r,13s,14s,17s,19r,20s,21r,23z)-9,21-dihydroxy-23-(1-methoxy-1-oxopropan-2-ylidene)-5,13,20-trimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁴]tetracosa-5,16(24)-dien-9-yl]methyl (2e)-2-methylbut-2-enoate

[(1r,2s,8r,9s,10s,12r,13s,14s,17s,19r,20s,21r,23z)-9,21-dihydroxy-23-(1-methoxy-1-oxopropan-2-ylidene)-5,13,20-trimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁴]tetracosa-5,16(24)-dien-9-yl]methyl (2e)-2-methylbut-2-enoate

C36H42O9 (618.2829)

(1r,4s,8s,10r)-1-(3,4-dihydroxybenzoyl)-4-(2-hydroxypropan-2-yl)-11,11-dimethyl-10-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-8-(3-methylbut-2-en-1-yl)-3-oxatricyclo[6.3.1.0²,⁶]dodec-2(6)-ene-7,12-dione

(1r,4s,8s,10r)-1-(3,4-dihydroxybenzoyl)-4-(2-hydroxypropan-2-yl)-11,11-dimethyl-10-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-8-(3-methylbut-2-en-1-yl)-3-oxatricyclo[6.3.1.0²,⁶]dodec-2(6)-ene-7,12-dione

C38H50O7 (618.3556)

({3,13,27-trihydroxy-8,14-dimethoxy-4,10,12,16,22,22-hexamethyl-20,21,23-trioxa-2-azatricyclo[16.8.1.0¹⁹,²⁵]heptacosa-1(26),2,4,6,10,18(27),19(25)-heptaen-9-yl}oxy)methanimidic acid

C32H46N2O10 (618.3152)

2,11,14,17-tetrahydroxy-16-{[(2-methylbut-3-en-2-yl)oxy]methyl}-19-(2-methylpropyl)-4-(sec-butyl)-21-thia-3,6,12,15,18,23-hexaazatricyclo[18.2.1.0⁶,¹⁰]tricosa-1(22),2,11,14,17,20(23)-hexaen-5-one

2,11,14,17-tetrahydroxy-16-{[(2-methylbut-3-en-2-yl)oxy]methyl}-19-(2-methylpropyl)-4-(sec-butyl)-21-thia-3,6,12,15,18,23-hexaazatricyclo[18.2.1.0⁶,¹⁰]tricosa-1(22),2,11,14,17,20(23)-hexaen-5-one

C30H46N6O6S (618.3199)

(1z,3s,3as,4r,5r,6r,7s,7as)-1-ethylidene-3,5-bis({[(2r)-2-methylbutanoyl]oxy})-7-[(2s)-2-methyloxiran-2-yl]-2-oxo-hexahydrospiro[indene-4,2'-oxiran]-6-yl (2e,4s)-4-(acetyloxy)-3-methylpent-2-enoate

C33H46O11 (618.304)

methyl (1r,4s,5r,6r,7r,8s,10s,14s,15s,16r,18s,19s,22s,23s,26s)-7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-23-[(2-methylprop-2-enoyl)oxy]-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.1⁸,¹⁵.0¹,⁵.0⁶,¹⁸.0⁷,¹⁶.0¹⁰,¹⁴.0²²,²⁶]heptacos-12-ene-4-carboxylate

methyl (1r,4s,5r,6r,7r,8s,10s,14s,15s,16r,18s,19s,22s,23s,26s)-7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-23-[(2-methylprop-2-enoyl)oxy]-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.1⁸,¹⁵.0¹,⁵.0⁶,¹⁸.0⁷,¹⁶.0¹⁰,¹⁴.0²²,²⁶]heptacos-12-ene-4-carboxylate

C32H42O12 (618.2676)

[(1r,3ar,5ar,6r,7s,9as,11ar)-3a,6,9a,11a-tetramethyl-1-[(2r)-6-methyl-4-oxoheptan-2-yl]-6-[(sulfooxy)methyl]-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid

C30H50O9S2 (618.2896)

(1s,4r,8s,10r)-8-(3,4-dihydroxybenzoyl)-4-(2-hydroxypropan-2-yl)-9,9-dimethyl-10-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-1-(3-methylbut-2-en-1-yl)-3-oxatricyclo[6.3.1.0²,⁶]dodec-2(6)-ene-7,12-dione

(1s,4r,8s,10r)-8-(3,4-dihydroxybenzoyl)-4-(2-hydroxypropan-2-yl)-9,9-dimethyl-10-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-1-(3-methylbut-2-en-1-yl)-3-oxatricyclo[6.3.1.0²,⁶]dodec-2(6)-ene-7,12-dione

C38H50O7 (618.3556)

14-(acetyloxy)-4,5,22-trihydroxy-11,15,17,22,23-pentamethyl-3,21,25-trioxo-8,20-dioxaheptacyclo[13.10.0.0²,¹².0⁵,¹¹.0⁷,⁹.0¹⁶,²⁴.0¹⁹,²³]pentacosan-10-yl acetate

C32H42O12 (618.2676)

4a-(5,7-dihydroxy-4-oxochromen-2-yl)-5-[(3,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl)methyl]-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione

C36H42O9 (618.2829)

[9,21-dihydroxy-23-(1-methoxy-1-oxopropan-2-ylidene)-5,13,20-trimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁴]tetracosa-5,16(24)-dien-9-yl]methyl 2-methylbut-2-enoate

[9,21-dihydroxy-23-(1-methoxy-1-oxopropan-2-ylidene)-5,13,20-trimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁴]tetracosa-5,16(24)-dien-9-yl]methyl 2-methylbut-2-enoate

C36H42O9 (618.2829)

methyl (1r,4s,5r,6s,7r,8s,10s,14s,15s,16r,18s,19r,22r,23r,26r)-7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-23-[(2-methylprop-2-enoyl)oxy]-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.1⁸,¹⁵.0¹,⁵.0⁶,¹⁸.0⁷,¹⁶.0¹⁰,¹⁴.0²²,²⁶]heptacos-12-ene-4-carboxylate

methyl (1r,4s,5r,6s,7r,8s,10s,14s,15s,16r,18s,19r,22r,23r,26r)-7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-23-[(2-methylprop-2-enoyl)oxy]-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.1⁸,¹⁵.0¹,⁵.0⁶,¹⁸.0⁷,¹⁶.0¹⁰,¹⁴.0²²,²⁶]heptacos-12-ene-4-carboxylate

C32H42O12 (618.2676)

3-({5-[(3-{[5-({3-[(5-aminopentyl)(hydroxy)carbamoyl]-1-hydroxypropylidene}amino)pentyl](hydroxy)carbamoyl}-1-hydroxypropylidene)amino]pentyl}(hydroxy)carbamoyl)propanoic acid

C27H50N6O10 (618.3588)

8-(5,7-dihydroxy-4-oxochromen-2-yl)-1-hydroxy-3-(3-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl)-11-methoxy-5-methyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-5,10-dien-9-one

C36H42O9 (618.2829)

{[13-hydroxy-23-(2-hydroxypropan-2-yl)-8,14-dimethoxy-4,10,12,16-tetramethyl-3,25-dioxo-20,22-dioxa-2-azatricyclo[16.6.1.0¹⁹,²³]pentacosa-1(24),4,6,10,18-pentaen-9-yl]oxy}methanimidic acid

C32H46N2O10 (618.3152)

(2r)-2-({[(1r)-1-{[(2r,3r,5s,6s)-4-{[(2s,3s,5s,6r)-3,5-diamino-6-methyloxan-2-yl]oxy}-2,3,5,6-tetrahydroxycyclohexyl]-c-hydroxycarbonimidoyl}-2-[(4s)-2-iminoimidazolidin-4-yl]ethyl]-c-hydroxycarbonimidoyl}amino)-4-methylpentanoic acid

(2r)-2-({[(1r)-1-{[(2r,3r,5s,6s)-4-{[(2s,3s,5s,6r)-3,5-diamino-6-methyloxan-2-yl]oxy}-2,3,5,6-tetrahydroxycyclohexyl]-c-hydroxycarbonimidoyl}-2-[(4s)-2-iminoimidazolidin-4-yl]ethyl]-c-hydroxycarbonimidoyl}amino)-4-methylpentanoic acid

C25H46N8O10 (618.3337)

(4s,10s,16s,19s)-4-[(2s)-butan-2-yl]-2,11,14,17-tetrahydroxy-16-{[(2-methylbut-3-en-2-yl)oxy]methyl}-19-(2-methylpropyl)-21-thia-3,6,12,15,18,23-hexaazatricyclo[18.2.1.0⁶,¹⁰]tricosa-1(22),2,11,14,17,20(23)-hexaen-5-one

(4s,10s,16s,19s)-4-[(2s)-butan-2-yl]-2,11,14,17-tetrahydroxy-16-{[(2-methylbut-3-en-2-yl)oxy]methyl}-19-(2-methylpropyl)-21-thia-3,6,12,15,18,23-hexaazatricyclo[18.2.1.0⁶,¹⁰]tricosa-1(22),2,11,14,17,20(23)-hexaen-5-one

C30H46N6O6S (618.3199)

(1r,3r,4r,6r,17s,19s)-4,6,11,12-tetrahydroxy-4,18,18-trimethyl-3,17,19-tris(3-methylbut-2-en-1-yl)-15-oxapentacyclo[15.3.1.0¹,⁶.0⁷,¹⁶.0⁹,¹⁴]henicosa-7(16),9,11,13-tetraene-8,21-dione

C38H50O7 (618.3556)

(4as,5r,8ar)-5-{[(1r,3s,4as,7s,8as)-3,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl}-4a-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione

(4as,5r,8ar)-5-{[(1r,3s,4as,7s,8as)-3,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl}-4a-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione

C36H42O9 (618.2829)

{[(4e,6z,8s,9s,10e,12s,13r,14s,16r)-3,13-dihydroxy-23-(2-hydroxypropan-2-yl)-8,14-dimethoxy-4,10,12,16-tetramethyl-25-oxo-20,22-dioxa-2-azatricyclo[16.6.1.0¹⁹,²³]pentacosa-1(24),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid

{[(4e,6z,8s,9s,10e,12s,13r,14s,16r)-3,13-dihydroxy-23-(2-hydroxypropan-2-yl)-8,14-dimethoxy-4,10,12,16-tetramethyl-25-oxo-20,22-dioxa-2-azatricyclo[16.6.1.0¹⁹,²³]pentacosa-1(24),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid

C32H46N2O10 (618.3152)

{[(8s,9s,12s,13r,14s,16s)-3,13,27-trihydroxy-8,14-dimethoxy-4,10,12,16,22,22-hexamethyl-20,21,23-trioxa-2-azatricyclo[16.8.1.0¹⁹,²⁵]heptacosa-1(26),2,4,6,10,18(27),19(25)-heptaen-9-yl]oxy}methanimidic acid

{[(8s,9s,12s,13r,14s,16s)-3,13,27-trihydroxy-8,14-dimethoxy-4,10,12,16,22,22-hexamethyl-20,21,23-trioxa-2-azatricyclo[16.8.1.0¹⁹,²⁵]heptacosa-1(26),2,4,6,10,18(27),19(25)-heptaen-9-yl]oxy}methanimidic acid

C32H46N2O10 (618.3152)

2,2-dimethyl-n-[(1s)-3-methyl-1-{methyl[(1r)-2-phenyl-1-{[(1s)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]-c-hydroxycarbonimidoyl}ethyl]carbamoyl}butyl]-3-oxohexanimidic acid

C35H46N4O4S (618.324)

7-(3,4-dihydroxybenzoyl)-3-(3-hydroxy-3-methylbut-1-en-1-yl)-4,4,10,10-tetramethyl-9,11-bis(3-methylbut-2-en-1-yl)-5-oxatricyclo[7.3.1.0¹,⁶]tridec-6-ene-8,13-dione

C38H50O7 (618.3556)

4,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-5-[(2-methylpropanoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C32H42O12 (618.2676)

(1s,2r,4r,5r,7s,9s,10r,11s,12s,14s,15r,16s,17r,22s,23r,24r)-14-(acetyloxy)-4,5,22-trihydroxy-11,15,17,22,23-pentamethyl-3,21,25-trioxo-8,20-dioxaheptacyclo[13.10.0.0²,¹².0⁵,¹¹.0⁷,⁹.0¹⁶,²⁴.0¹⁹,²³]pentacosan-10-yl acetate

(1s,2r,4r,5r,7s,9s,10r,11s,12s,14s,15r,16s,17r,22s,23r,24r)-14-(acetyloxy)-4,5,22-trihydroxy-11,15,17,22,23-pentamethyl-3,21,25-trioxo-8,20-dioxaheptacyclo[13.10.0.0²,¹².0⁵,¹¹.0⁷,⁹.0¹⁶,²⁴.0¹⁹,²³]pentacosan-10-yl acetate

C32H42O12 (618.2676)

4,8,15,19,26,30-hexahydroxy-1-thia-4,9,15,20,26,31-hexaazacyclotritriaconta-8,19,30-triene-5,16,27-trione

C26H46N6O9S (618.3047)

(1r,3s,7s,9s,11r,13s)-11-benzoyl-13-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3-(2-hydroxypropan-2-yl)-6,6,10,10-tetramethyl-4,5-dioxatetracyclo[9.3.1.1⁹,¹³.0¹,⁷]hexadecane-12,14,15-trione

C38H50O7 (618.3556)

(1s,3s,9r,11r)-7-(3,4-dihydroxybenzoyl)-11-[(1e)-3-hydroxy-3-methylbut-1-en-1-yl]-4,4,10,10-tetramethyl-3,9-bis(3-methylbut-2-en-1-yl)-5-oxatricyclo[7.3.1.0¹,⁶]tridec-6-ene-8,13-dione

C38H50O7 (618.3556)

(1s,3as,3br,4r,9s,9as,9bs,11as)-4-hydroxy-9a,11a-dimethyl-7-oxo-1-[(1s)-1-[(1s,3r,5r)-5,6,6-trimethyl-1-[2-(methylsulfanyl)-2-oxoethyl]-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-9-yl acetate

(1s,3as,3br,4r,9s,9as,9bs,11as)-4-hydroxy-9a,11a-dimethyl-7-oxo-1-[(1s)-1-[(1s,3r,5r)-5,6,6-trimethyl-1-[2-(methylsulfanyl)-2-oxoethyl]-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-9-yl acetate

C34H50O8S (618.3226)

4a-(5,7-dihydroxy-4-oxochromen-2-yl)-5-{[3-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl}-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione

C36H42O9 (618.2829)

3,4,6-tris(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-8,13-dioxo-13a-(2-oxopropyl)-1h,2h,3h,3ah,4h,6h,7h,12h-cyclopenta[12]annulen-7-yl 2-methylpropanoate

C33H46O11 (618.304)

(4s,10s,16s,19s)-4-[(2r)-butan-2-yl]-2,11,14,17-tetrahydroxy-16-{[(2-methylbut-3-en-2-yl)oxy]methyl}-19-(2-methylpropyl)-21-thia-3,6,12,15,18,23-hexaazatricyclo[18.2.1.0⁶,¹⁰]tricosa-1(22),2,11,14,17,20(23)-hexaen-5-one

(4s,10s,16s,19s)-4-[(2r)-butan-2-yl]-2,11,14,17-tetrahydroxy-16-{[(2-methylbut-3-en-2-yl)oxy]methyl}-19-(2-methylpropyl)-21-thia-3,6,12,15,18,23-hexaazatricyclo[18.2.1.0⁶,¹⁰]tricosa-1(22),2,11,14,17,20(23)-hexaen-5-one

C30H46N6O6S (618.3199)

(1s,2s,4s,5r,6r,7s,9r,12r)-4,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-5-[(2-methylpropanoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C32H42O12 (618.2676)

methyl 7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-23-[(2-methylprop-2-enoyl)oxy]-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.1⁸,¹⁵.0¹,⁵.0⁶,¹⁸.0⁷,¹⁶.0¹⁰,¹⁴.0²²,²⁶]heptacos-12-ene-4-carboxylate

methyl 7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-23-[(2-methylprop-2-enoyl)oxy]-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.1⁸,¹⁵.0¹,⁵.0⁶,¹⁸.0⁷,¹⁶.0¹⁰,¹⁴.0²²,²⁶]heptacos-12-ene-4-carboxylate

C32H42O12 (618.2676)

(1s,2r,4r,5r,6s,8r,10s,11s,12r,14r,15s,19r,20r,21s)-21-(acetyloxy)-6-(furan-3-yl)-4,12,19,20-tetrahydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate

(1s,2r,4r,5r,6s,8r,10s,11s,12r,14r,15s,19r,20r,21s)-21-(acetyloxy)-6-(furan-3-yl)-4,12,19,20-tetrahydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate

C32H42O12 (618.2676)

(2r,3s)-3-[(1r,3as,3bs,4r,9s,9ar,9bs,11ar)-9-(acetyloxy)-4-hydroxy-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-[(2s)-2,3,3-trimethyloxiran-2-yl]butan-2-yl 3-(methylsulfanyl)-3-oxopropanoate

(2r,3s)-3-[(1r,3as,3bs,4r,9s,9ar,9bs,11ar)-9-(acetyloxy)-4-hydroxy-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-[(2s)-2,3,3-trimethyloxiran-2-yl]butan-2-yl 3-(methylsulfanyl)-3-oxopropanoate

C34H50O8S (618.3226)

11-benzoyl-13-(3,7-dimethylocta-2,6-dien-1-yl)-3-(2-hydroxypropan-2-yl)-6,6,10,10-tetramethyl-4,5-dioxatetracyclo[9.3.1.1⁹,¹³.0¹,⁷]hexadecane-12,14,15-trione

C38H50O7 (618.3556)

1-ethylidene-3,5-bis[(2-methylbutanoyl)oxy]-7-(2-methyloxiran-2-yl)-2-oxo-hexahydrospiro[indene-4,2'-oxiran]-6-yl 4-(acetyloxy)-3-methylpent-2-enoate

C33H46O11 (618.304)

(1r,17r)-11,27-dimethoxy-16,32-dimethyl-8,25,35,38-tetraoxa-16,32-diazanonacyclo[20.10.3.2⁶,¹⁰.1³,⁷.1⁹,¹³.1¹⁹,²³.0²⁶,³⁴.0²⁹,³³.0¹⁷,³⁷]tetraconta-3,5,7(40),9,11,13(37),19,21,23(36),26(34),27,29(33)-dodecaene

(1r,17r)-11,27-dimethoxy-16,32-dimethyl-8,25,35,38-tetraoxa-16,32-diazanonacyclo[20.10.3.2⁶,¹⁰.1³,⁷.1⁹,¹³.1¹⁹,²³.0²⁶,³⁴.0²⁹,³³.0¹⁷,³⁷]tetraconta-3,5,7(40),9,11,13(37),19,21,23(36),26(34),27,29(33)-dodecaene

C38H38N2O6 (618.273)

1-(3,4-dihydroxybenzoyl)-4-(2-hydroxypropan-2-yl)-11,11-dimethyl-10-[5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-8-(3-methylbut-2-en-1-yl)-3-oxatricyclo[6.3.1.0²,⁶]dodec-2(6)-ene-7,12-dione

C38H50O7 (618.3556)

4-[(2s)-2-amino-3-hydroxy-2-methylpropanamido]-n-{1-[(2r,5s,6r)-5-{[(2r,3r,4s,5s,6r)-5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-2-hydroxypyrimidin-4-ylidene}benzamide

C29H42N6O9 (618.3013)

(1r,2s,3as,5as,9as,11ar)-9a-formyl-3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-5a-{[(2s,5s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate

(1r,2s,3as,5as,9as,11ar)-9a-formyl-3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-5a-{[(2s,5s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate

C32H42O12 (618.2676)

(1s,3s,8s,10s)-6-(3,4-dihydroxybenzoyl)-3-(2-hydroxypropan-2-yl)-11,11-dimethyl-8-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-10-(3-methylbut-2-en-1-yl)-4-oxatricyclo[6.3.1.0¹,⁵]dodec-5-ene-7,12-dione

(1s,3s,8s,10s)-6-(3,4-dihydroxybenzoyl)-3-(2-hydroxypropan-2-yl)-11,11-dimethyl-8-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-10-(3-methylbut-2-en-1-yl)-4-oxatricyclo[6.3.1.0¹,⁵]dodec-5-ene-7,12-dione

C38H50O7 (618.3556)

4-[(2r)-2-amino-3-hydroxy-2-methylpropanamido]-n-{1-[(2r,5s,6r)-5-{[(2r,3r,4s,5s,6r)-5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-2-hydroxypyrimidin-4-ylidene}benzamide

C29H42N6O9 (618.3013)

(1r,5s,6s,7r)-3-[hydroxy(2,4,5-trihydroxyphenyl)methylidene]-6-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione

C38H50O7 (618.3556)

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

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

C32H42O12 (618.2676)

[(1s,3r,6s,7r,8r,11s,12s,15r,16r)-7,12,16-trimethyl-15-[(2r)-6-methyl-4-oxoheptan-2-yl]-7-[(sulfooxy)methyl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxidanesulfonic acid

C30H50O9S2 (618.2896)

(1s,3as,3bs,9ar,9bs,11as)-1-[(1r)-1-[(1r,2r,4r,6s)-1,6-dimethyl-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-1-hydroxy-9a,11a-dimethyl-2h,3h,3ah,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-9-one

(1s,3as,3bs,9ar,9bs,11as)-1-[(1r)-1-[(1r,2r,4r,6s)-1,6-dimethyl-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-1-hydroxy-9a,11a-dimethyl-2h,3h,3ah,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-9-one

C34H50O10 (618.3404)

methyl 2-[(1z,2s,3as,3bs,4r,5r,6s,7r,9as,11r)-2,5-bis(acetyloxy)-4,7,11-trihydroxy-3a,3b,6,9a-tetramethyl-10-oxo-dodecahydrocyclopenta[a]phenanthren-1-ylidene]-6-methylhept-5-enoate

C34H50O10 (618.3404)

2',7-dimethoxy-1,8'-bis(3-methylbut-2-en-1-yl)-9h,9'h,10h,10'h-[3,3'-biphenanthrene]-2,4',5,7'-tetrol

C40H42O6 (618.2981)

(1r,17r)-27,38-dimethoxy-16,32-dimethyl-9,25,35,39-tetraoxa-16,32-diazanonacyclo[20.10.3.2¹⁰,¹³.1³,⁷.1⁶,¹¹.1¹⁹,²³.0¹²,¹⁷.0²⁶,³⁴.0²⁹,³³]tetraconta-3,5,7(40),10,12,19,21,23(36),26(34),27,29(33),37-dodecaene

(1r,17r)-27,38-dimethoxy-16,32-dimethyl-9,25,35,39-tetraoxa-16,32-diazanonacyclo[20.10.3.2¹⁰,¹³.1³,⁷.1⁶,¹¹.1¹⁹,²³.0¹²,¹⁷.0²⁶,³⁴.0²⁹,³³]tetraconta-3,5,7(40),10,12,19,21,23(36),26(34),27,29(33),37-dodecaene

C38H38N2O6 (618.273)

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

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

C32H42O12 (618.2676)

(2s,3s,3ar,4r,6s,7r,12r,13ar)-3,4,6-tris(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-8,13-dioxo-13a-(2-oxopropyl)-1h,2h,3h,3ah,4h,6h,7h,12h-cyclopenta[12]annulen-7-yl 2-methylpropanoate

C33H46O11 (618.304)

(3r,3as,4r,6r,6as,7r,8r,9br)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-4-[(3-methylbut-2-enoyl)oxy]-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-7-yl 3-methylbut-2-enoate

(3r,3as,4r,6r,6as,7r,8r,9br)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-4-[(3-methylbut-2-enoyl)oxy]-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-7-yl 3-methylbut-2-enoate

C32H42O12 (618.2676)

(1r,3s,4r,8r,12s)-3-[(1r,3s,4as,8as)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-8-(5,7-dihydroxy-4-oxochromen-2-yl)-1-hydroxy-11-methoxy-5-methyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-5,10-dien-9-one

(1r,3s,4r,8r,12s)-3-[(1r,3s,4as,8as)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-8-(5,7-dihydroxy-4-oxochromen-2-yl)-1-hydroxy-11-methoxy-5-methyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-5,10-dien-9-one

C36H42O9 (618.2829)

(2r)-n-[(2s)-1-[(2s,3ar,5s,6s,7as)-2-{[2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)ethyl]carbamoyl}-5,6-dihydroxy-octahydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methoxy-3-(sulfooxy)propanimidic acid

C25H42N6O10S (618.2683)

(1r,5r,7r)-3-(3,4-dihydroxybenzoyl)-4-hydroxy-5-[(2s)-4-hydroxy-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-8,8-dimethyl-1,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione

C38H50O7 (618.3556)

(2s,5s)-2-[(4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-4h,4ah,6h,7h,8h-pyrano[3,2-b]pyran-2-yl]-5-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pentane-1,2,5-triol

C30H51BrO8 (618.2767)

3-[(1r,3s,4as,8as)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-8-(5,7-dihydroxy-4-oxochromen-2-yl)-1-hydroxy-11-methoxy-5-methyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-5,10-dien-9-one

3-[(1r,3s,4as,8as)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-8-(5,7-dihydroxy-4-oxochromen-2-yl)-1-hydroxy-11-methoxy-5-methyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-5,10-dien-9-one

C36H42O9 (618.2829)