Exact Mass: 618.2624

Exact Mass Matches: 618.2624

Found 118 metabolites which its exact mass value is equals to given mass value 618.2624, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 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

APC

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

C33H38N4O8 (618.269)

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

C32H42O12 (618.2676)

taccalonolide M

C32H42O12 (618.2676)

Azadirachtin I

C32H42O12 (618.2676)

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

C32H42O12 (618.2676)

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)

thapsivillosin H

C32H42O12 (618.2676)

Scillicyanoside

C32H42O12 (618.2676)

barbatine D

C34H38N2O9 (618.2577)

His His Tyr Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C30H34N8O7 (618.255)

His Asn Trp Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C30H34N8O7 (618.255)

His Asn Tyr Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C30H34N8O7 (618.255)

His Trp Asn Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C30H34N8O7 (618.255)

His Trp Tyr Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanoic acid

C30H34N8O7 (618.255)

His Tyr His Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C30H34N8O7 (618.255)

His Tyr Asn Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C30H34N8O7 (618.255)

His Tyr Trp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid

C30H34N8O7 (618.255)

His Tyr Tyr His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C30H34N8O7 (618.255)

Met Pro Trp Trp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C32H38N6O5S (618.2624)

Met Trp Pro Trp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

C32H38N6O5S (618.2624)

Met Trp Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C32H38N6O5S (618.2624)

Asn His Trp Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C30H34N8O7 (618.255)

Asn His Tyr Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C30H34N8O7 (618.255)

Asn Asn Trp Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C30H34N8O7 (618.255)

Asn Trp His Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C30H34N8O7 (618.255)

Asn Trp Asn Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C30H34N8O7 (618.255)

Asn Trp Trp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid

C30H34N8O7 (618.255)

Asn Trp Tyr His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C30H34N8O7 (618.255)

Asn Tyr His Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C30H34N8O7 (618.255)

Asn Tyr Trp His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C30H34N8O7 (618.255)

Pro Met Trp Trp

(2S)-3-(1H-indol-3-yl)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-4-(methylsulfanyl)-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]propanamido]propanoic acid

C32H38N6O5S (618.2624)

Pro Trp Met Trp

(2S)-3-(1H-indol-3-yl)-2-[(2S)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-4-(methylsulfanyl)butanamido]propanoic acid

C32H38N6O5S (618.2624)

Pro Trp Trp Met

(2S)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]-4-(methylsulfanyl)butanoic acid

C32H38N6O5S (618.2624)

Trp His Asn Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C30H34N8O7 (618.255)

Trp His Tyr Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanoic acid

C30H34N8O7 (618.255)

Trp Met Pro Trp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

C32H38N6O5S (618.2624)

Trp Met Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C32H38N6O5S (618.2624)

Trp Asn His Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C30H34N8O7 (618.255)

Trp Asn Asn Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C30H34N8O7 (618.255)

Trp Asn Trp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid

C30H34N8O7 (618.255)

Trp Asn Tyr His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C30H34N8O7 (618.255)

Trp Pro Met Trp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoic acid

C32H38N6O5S (618.2624)

Trp Pro Trp Met

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C32H38N6O5S (618.2624)

Trp Trp Met Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

C32H38N6O5S (618.2624)

Trp Trp Asn Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-carbamoylpropanoic acid

C30H34N8O7 (618.255)

Trp Trp Pro Met

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanoic acid

C32H38N6O5S (618.2624)

Trp Tyr His Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanoic acid

C30H34N8O7 (618.255)

Trp Tyr Asn His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C30H34N8O7 (618.255)

Tyr His His Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C30H34N8O7 (618.255)

Tyr His Asn Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C30H34N8O7 (618.255)

Tyr His Trp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid

C30H34N8O7 (618.255)

Tyr His Tyr His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C30H34N8O7 (618.255)

Tyr Asn His Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C30H34N8O7 (618.255)

Tyr Asn Trp His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C30H34N8O7 (618.255)

Tyr Trp His Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanoic acid

C30H34N8O7 (618.255)

Tyr Trp Asn His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C30H34N8O7 (618.255)

Tyr Tyr His His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C30H34N8O7 (618.255)

5-O-DMT-2-MOE-T

C34H38N2O9 (618.2577)

Fmoc-Asp(OtBu)-(Dmb)Gly-OH

C34H38N2O9 (618.2577)

2-[(E)-2-{(3E)-2-Chloro-3-[(2Z)-2-(1,1,3-trimethyl-1,3-dihydro-2H -benzo[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}vinyl]-1,1 ,3-trimethyl-1H-benzo[e]indolium chloride

C40H40Cl2N2 (618.2568)

Selatogrel

C28H39N6O8P (618.2567)

C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent > C190801 - P2Y12 Inhibitor

6-O-Nicotinoyl-7-O-acetylscutebarbatine G, (rel)

C34H38N2O9 (618.2577)

A natural product found in Scutellaria barbata.

N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.2654)

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)

N-[(2R,4aS,12aR)-2-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.2654)

N-[(2R,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.2654)

N-[(2R,4aR,12aR)-2-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.2654)

N-[(2S,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.2654)

N-[(2R,4aR,12aS)-2-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.2654)

N-[(2S,4aR,12aS)-2-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.2654)

N-[(2S,4aR,12aR)-2-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.2654)

N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.2654)

N-[(2R,4aS,12aS)-2-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.2654)

N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.2654)

N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.2654)

N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.2654)

N-[(2S,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.2654)

N-[(2R,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.2654)

N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

C34H36F2N4O5 (618.2654)

Smgdg O-18:5_2:0

C29H46O12S (618.271)

APC

C33H38N4O8 (618.269)

SMGDG O-20:5

C29H46O12S (618.271)

SQDG 20:4

C29H46O12S (618.271)

ST 26:6;O6;GlcA

C32H42O12 (618.2676)

ST 26:7;O7;Hex

C32H42O12 (618.2676)

MC3482

C33H38N4O8 (618.269)

MC3482 is a specific sirtuin5 (SIRT5) inhibitor.

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)

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)

(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)

(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"}

(1s,3s,4ar,5s,6r,6ar,10as,10bs)-5-(acetyloxy)-4a,6a,7,10b-tetramethyl-5'-oxo-1-(pyridine-3-carbonyloxy)-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl pyridine-3-carboxylate

C34H38N2O9 (618.2577)

5-(acetyloxy)-4a,6a,7,10b-tetramethyl-5'-oxo-1-(pyridine-3-carbonyloxy)-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl pyridine-3-carboxylate

C34H38N2O9 (618.2577)

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)

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)

(1s,3r,4ar,5s,6r,6ar,10as,10bs)-5-(acetyloxy)-4a,6a,7,10b-tetramethyl-5'-oxo-1-(pyridine-3-carbonyloxy)-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl pyridine-3-carboxylate

C34H38N2O9 (618.2577)

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)

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)

(3s,4ar,5s,6r,6ar,10r,10as,10br)-5-(acetyloxy)-4a,6a,7,10b-tetramethyl-5'-oxo-10-(pyridine-3-carbonyloxy)-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl pyridine-3-carboxylate

(3s,4ar,5s,6r,6ar,10r,10as,10br)-5-(acetyloxy)-4a,6a,7,10b-tetramethyl-5'-oxo-10-(pyridine-3-carbonyloxy)-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl pyridine-3-carboxylate

C34H38N2O9 (618.2577)

(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)

(1r,2s,3r,4s,4as,8ar)-4-[(1s)-1-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-3-hydroxy-3,4,8,8a-tetramethyl-2-(pyridine-3-carbonyloxy)-2,4a,5,6-tetrahydro-1h-naphthalen-1-yl pyridine-3-carboxylate

C34H38N2O9 (618.2577)

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)

(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)

(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)

(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)

(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)

(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)