Exact Mass: 622.3617830000001
Exact Mass Matches: 622.3617830000001
Found 381 metabolites which its exact mass value is equals to given mass value 622.3617830000001
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
NAc-FnorLRF-amide
C32H46N8O5 (622.3590985999999)
3-O-Protocatechuoylceanothic acid
3-O-Protocatechuoylceanothic acid is found in fruits. 3-O-Protocatechuoylceanothic acid is a constituent of Zizyphus jujuba (Chinese date) Constituent of Zizyphus jujuba (Chinese date). 3-O-Protocatechuoylceanothic acid is found in fruits.
Bafilomycin A1(Baf-A1)
Pterocaryoside B
PA(10:0/18:1(12Z)-2OH(9,10))
C31H59O10P (622.3845643999999)
PA(10:0/18:1(12Z)-2OH(9,10)) 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(10:0/18:1(12Z)-2OH(9,10)), in particular, consists of one chain of one decanoyl at the C-1 position and one chain of 9,10-hydroxy-octadecenoyl 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(18:1(12Z)-2OH(9,10)/10:0)
C31H59O10P (622.3845643999999)
PA(18:1(12Z)-2OH(9,10)/10:0) 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(18:1(12Z)-2OH(9,10)/10:0), in particular, consists of one chain of one 9,10-hydroxy-octadecenoyl at the C-1 position and one chain of decanoyl 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).
4,4-Diapo-psi,psi-Carotenedioic acid mono-beta-D-glucopyranosyl ester
(22S)-cholest-5-ene-3beta,11beta,16beta,22-tetrol 16-O-(2-O-acetyl-alpha-L-rhamnopyranoside)
2-O-(5-methylheptanoyl)-3-O-(5-methylhexanoyl)-6-O-acetylsucrose
bafilomycin A1
The most used of the bafilomycins, a family of toxic macrolide antibiotics derived from Streptomyces griseus. D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D004791 - Enzyme Inhibitors
cyclosiversigenin 3-O-beta-D-xylopyranoside|trigonoside I
(24S)-24-ethyl-cholesta-7,22E-diene-5alpha,6beta,25-triol 3-O-beta-D-glucoside|recurvoside A
7beta-(4-hydroxy-3-methoxybenzoyloxy)-betulinic acid
(2alpha,3beta,18beta)-23-O-(trans-caffeoyl)-19(18?17)-abeo-28-norolean-12-ene-2,3,18-triol|leonurusoleanolide I
(20SR,24RS)-epoxy-9,19-cyclolanostane-3beta,12beta,16beta,25-tetraol-3-O-beta-D-xylopyranoside
(2alpha,3beta,18beta)-3-O-(trans-caffeoyl)-19(18?17)-abeo-28-norolean-12-ene-2,18,23-triol|leonurusoleanolide J
3-O-beta-D-xylopyranosyl-3,6,16,25-tetrahydroxy-20(R),25(S)-epoxycycloartane|hareftoside C
spirosta-5,25(27)-diene-1beta,2alpha,3beta,12beta-tetrol 3-O-beta-D-galactopyranoside
2alpha,3beta,23alpha-trihydroxy-spirost-5,25(27)-diene-1beta-yl O-beta-D-galactopyranoside|atropuroside E
1-methoxy-6,8-dimethyl-beta-naphthyl-beta-L-arabinopyranosyl-4-pimaran-17-oic acid ester|catharanthusopimaranoside B
4,6,8,12,14,16-hexahydroxy-3-ethyl-15-carboxyl-27-methyl-28-isopropyloxacyclooctacosa-17,19,21,23,25-pentaen-2-one|strevertene F
3alpha,16alpha,21beta,22alpha,28-pentahydroxyolean-12-en-28-O-beta-D-xylopyranoside
3beta,16alpha,21beta,22alpha,28-pentahydroxyolean-12-en-28-O-beta-xylopyranoside
(22S)-cholest-5-ene-3beta,11beta,16beta,22-tetrol 16-O-(3-O-acetyl-alpha-L-rhamnopyranoside)
25-deoxycalonysterone-3-O-beta-D-glucopyranoside|brainesteroside C
Tyr Glu Arg Arg
C26H42N10O8 (622.3186932000001)
C36H50N2O7_(5R,13S,14R,15R)-15,22-Dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl N-(cyclohexylcarbonyl)-D-alaninate
C36H50N2O7 (622.3617830000001)
Glu Arg Arg Tyr
C26H42N10O8 (622.3186932000001)
Glu Arg Tyr Arg
C26H42N10O8 (622.3186932000001)
Glu Tyr Arg Arg
C26H42N10O8 (622.3186932000001)
Arg Glu Arg Tyr
C26H42N10O8 (622.3186932000001)
Arg Glu Tyr Arg
C26H42N10O8 (622.3186932000001)
Arg Arg Glu Tyr
C26H42N10O8 (622.3186932000001)
Arg Arg Tyr Glu
C26H42N10O8 (622.3186932000001)
Arg Val Trp Tyr
Arg Val Tyr Trp
Arg Trp Val Tyr
Arg Trp Tyr Val
Arg Tyr Glu Arg
C26H42N10O8 (622.3186932000001)
Arg Tyr Arg Glu
C26H42N10O8 (622.3186932000001)
Arg Tyr Val Trp
Arg Tyr Trp Val
Val Arg Trp Tyr
Val Arg Tyr Trp
Val Trp Arg Tyr
Val Trp Tyr Arg
Val Tyr Arg Trp
Val Tyr Trp Arg
Trp Arg Val Tyr
Trp Arg Tyr Val
Trp Val Arg Tyr
Trp Val Tyr Arg
Trp Tyr Arg Val
Trp Tyr Val Arg
Tyr Arg Glu Arg
C26H42N10O8 (622.3186932000001)
Tyr Arg Arg Glu
C26H42N10O8 (622.3186932000001)
Tyr Arg Val Trp
Tyr Arg Trp Val
Tyr Val Arg Trp
Tyr Val Trp Arg
Tyr Trp Arg Val
Tyr Trp Val Arg
3-O-Protocatechuoylceanothic acid
Brainesteroside C
cyclohexane-1-carbonyl-D-alanyl-3-O-methylprotoansatrienin
C36H50N2O7 (622.3617830000001)
Sucrose-4-(2-methyl)butyryl-2,3-di-(3-methyl)pentanoate
Sucrose-2-(2-methyl)butyryl-3,4-di-(3-methyl)pentanoate
Sucrose-2-(2-methyl)butyryl-4-(2-methyl)butyryl-3-(5-methyl)hexanoate
(2E,4E,7E,9S)-10-[(4S,4aR,6R,8S,8aR)-4-[[(2S)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetyl]amino]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-yl]-9-methoxydeca-2,4,7-trienoate
3-[(21S,22S)-26-ethyl-12-formyl-4-hydroxy-16-(1-hydroxyethyl)-17,19,21-trimethyl-11-(2-methylpropyl)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
(3E,5E,11E,13Z)-16-[4-(2,4-dihydroxy-5-methyl-6-propan-2-yloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
3-[3-[(E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-4-(3,4,5-trihydroxyoxan-2-yl)oxy-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid
1,2-Dilauroyl-sn-glycero-3-phosphoserine(1-)
A 3-sn-phosphatidyl-L-serine(1-) that is the conjugate base of 1,2-dilauroyl-sn-glycero-3-phosphoserine, obtained by deprotonation of the phosphate OH group; major species at pH 7.3.
N-[(3R,9S,10S)-9-[[[cyclohexyl(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-pyridinecarboxamide
4,4,4-trifluoro-N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
N-[(3R,9S,10R)-9-[[[cyclohexyl(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-pyridinecarboxamide
N-[(3R,9S,10S)-9-[[[cyclohexyl(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-pyridinecarboxamide
N-[(3S,9S,10R)-9-[[[cyclohexyl(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-pyridinecarboxamide
1-[[(3S,9S,10S)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
4,4,4-trifluoro-N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
1-[[(3R,9S,10S)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
4,4,4-trifluoro-N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
1-[[(3R,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
4,4,4-trifluoro-N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
1-[[(3R,9R,10R)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
4,4,4-trifluoro-N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
N-[[(3R,9S,10R)-16-[[cyclohexyl(oxo)methyl]amino]-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-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
1-[[(3S,9R,10R)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
N-[[(3S,9R,10R)-16-[[cyclohexyl(oxo)methyl]amino]-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-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
1-[[(3R,9R,10R)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
N-[[(3R,9R,10S)-16-[[cyclohexyl(oxo)methyl]amino]-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-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
4,4,4-trifluoro-N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
N-[[(3S,9S,10S)-16-[[cyclohexyl(oxo)methyl]amino]-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-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[(3R,9R,10S)-9-[[[cyclohexyl(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-pyridinecarboxamide
N-[(3S,9R,10S)-9-[[[cyclohexyl(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-pyridinecarboxamide
N-[(3S,9S,10R)-9-[[[cyclohexyl(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-pyridinecarboxamide
N-[(3S,9R,10S)-9-[[[cyclohexyl(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-pyridinecarboxamide
N-[(3S,9S,10S)-9-[[[cyclohexyl(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-pyridinecarboxamide
N-[(3S,9R,10R)-9-[[[cyclohexyl(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-pyridinecarboxamide
N-[(3R,9R,10R)-9-[[[cyclohexyl(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-pyridinecarboxamide
N-[(3R,9R,10S)-9-[[[cyclohexyl(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-pyridinecarboxamide
N-[(3S,9S,10S)-9-[[[cyclohexyl(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-pyridinecarboxamide
N-[(3R,9R,10R)-9-[[[cyclohexyl(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-pyridinecarboxamide
N-[(3R,9S,10R)-9-[[[cyclohexyl(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-pyridinecarboxamide
N-[[(3R,9S,10S)-16-[[cyclohexyl(oxo)methyl]amino]-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-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(3R,9R,10S)-16-[[cyclohexyl(oxo)methyl]amino]-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-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
4,4,4-trifluoro-N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
4,4,4-trifluoro-N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
1-[[(3R,9S,10R)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
1-[[(3S,9S,10R)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
N-[[(3S,9R,10S)-16-[[cyclohexyl(oxo)methyl]amino]-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-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
4,4,4-trifluoro-N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
N-[[(3S,9S,10R)-16-[[cyclohexyl(oxo)methyl]amino]-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-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(3R,9R,10R)-16-[[cyclohexyl(oxo)methyl]amino]-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-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
1-[[(3R,9S,10R)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
4,4,4-trifluoro-N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
4,4,4-trifluoro-N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
1-[[(3S,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
1-[[(3R,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
4,4,4-trifluoro-N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
1-[[(3S,9S,10R)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
4,4,4-trifluoro-N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
N-[[(3S,9R,10R)-16-[[cyclohexyl(oxo)methyl]amino]-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-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
4,4,4-trifluoro-N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
1-[[(3S,9S,10S)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
N-[[(3S,9R,10S)-16-[[cyclohexyl(oxo)methyl]amino]-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-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(3R,9R,10R)-16-[[cyclohexyl(oxo)methyl]amino]-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-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
4,4,4-trifluoro-N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
N-[[(3S,9S,10R)-16-[[cyclohexyl(oxo)methyl]amino]-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-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(3R,9S,10R)-16-[[cyclohexyl(oxo)methyl]amino]-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-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(3R,9S,10S)-16-[[cyclohexyl(oxo)methyl]amino]-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-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
4,4,4-trifluoro-N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
1-[[(3S,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
[O-[1-O-Palmitoyl-2-O-(7-oxoheptanoyl)-L-glycero-3-phospho]choline]anion
(Z)-18-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoctadec-9-enoic acid
S-[2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]ethyl] (Z)-octadec-9-enethioate
[(2R)-1-hydroxy-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (11Z,14Z,17Z)-icosa-11,14,17-trienoate
[(4E,8E)-2-[[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]amino]-3-hydroxytrideca-4,8-dienyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-3-hydroxy-2-[[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]amino]undec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
alpha-D-threo-Pentopyranose, 2,4-dideoxy-1-C-[(1S,2R,3S)-2-hydroxy-3-[(2R,3S,4E,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen-2-yl]-1-methylbutyl]-4-methyl-5-C-(1-methylethyl)-, (5R)-
[1-propanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
[1-heptanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[1-pentanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
[(E)-3-hydroxy-2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]non-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (Z)-docos-13-enoate
C31H59O10P (622.3845643999999)
[1-[(2-hexanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-nonadec-9-enoate
C31H59O10P (622.3845643999999)
[1-[(2-heptanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-octadec-9-enoate
C31H59O10P (622.3845643999999)
[1-[(2-butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-henicos-11-enoate
C31H59O10P (622.3845643999999)
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (Z)-icos-11-enoate
C31H59O10P (622.3845643999999)
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-octanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (Z)-heptadec-9-enoate
C31H59O10P (622.3845643999999)
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-nonanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (Z)-hexadec-9-enoate
C31H59O10P (622.3845643999999)
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-undecanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (Z)-tetradec-9-enoate
C31H59O10P (622.3845643999999)
[1-[(2-dodecanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-tridec-9-enoate
C31H59O10P (622.3845643999999)
[1-[(2-decanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-pentadec-9-enoate
C31H59O10P (622.3845643999999)
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (Z)-docos-13-enoate
C31H59O10P (622.3845643999999)
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-heptanoyloxypropan-2-yl] (Z)-octadec-9-enoate
C31H59O10P (622.3845643999999)
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-octanoyloxypropan-2-yl] (Z)-heptadec-9-enoate
C31H59O10P (622.3845643999999)
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (Z)-icos-11-enoate
C31H59O10P (622.3845643999999)
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-nonanoyloxypropan-2-yl] (Z)-hexadec-9-enoate
C31H59O10P (622.3845643999999)
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hexanoyloxypropan-2-yl] (Z)-nonadec-9-enoate
C31H59O10P (622.3845643999999)
(1-nonanoyloxy-3-phosphonooxypropan-2-yl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
[1-butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (Z)-henicos-11-enoate
C31H59O10P (622.3845643999999)
[1-phosphonooxy-3-[(Z)-tridec-9-enoyl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[1-decanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (Z)-pentadec-9-enoate
C31H59O10P (622.3845643999999)
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-dodecanoyloxypropan-2-yl] (Z)-tridec-9-enoate
C31H59O10P (622.3845643999999)
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-undecanoyloxypropan-2-yl] (Z)-tetradec-9-enoate
C31H59O10P (622.3845643999999)
[1-[(E)-pentadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-undecanoyloxypropyl] (E)-tetradec-9-enoate
C31H59O10P (622.3845643999999)
[1-[(9E,12E)-pentadeca-9,12-dienoyl]oxy-3-phosphonooxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate
[(2R)-1-decanoyloxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (E)-pentadec-9-enoate
C31H59O10P (622.3845643999999)
[1-[(6E,9E,12E)-pentadeca-6,9,12-trienoyl]oxy-3-phosphonooxypropan-2-yl] (9E,11E,13E)-hexadeca-9,11,13-trienoate
[(2S)-2-decanoyloxy-3-[[(2R)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropyl] (E)-pentadec-9-enoate
C31H59O10P (622.3845643999999)
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-undecanoyloxypropan-2-yl] (E)-tetradec-9-enoate
C31H59O10P (622.3845643999999)
2-[[3-[(5Z,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-5,8,11,14,17,20,23-heptaenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
C34H57NO7P+ (622.3872441999999)
(17-{2-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-3,5-dihydroxyphenyl}heptadecan-6-yl)oxysulfonic acid
1-(2,3-dihydroxy-6-methylheptan-2-yl)-5,8-dihydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one
1-[(3as,3br,7r,9ar,9br,11ar)-7-{[(2r,3s,4r,5r,6s)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-9a,11a-dimethyl-3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethanone
(2r,3s,4z,6z,8z,10z,12z,14r,15r,16r,18r,22s,24s,26s,27r)-27-ethyl-14,16,18,22,24,26-hexahydroxy-2-isopropyl-3-methyl-28-oxo-1-oxacyclooctacosa-4,6,8,10,12-pentaene-15-carboxylic acid
(4r,6s,8s,9e,11s,13e,15e,18r)-4-{[(2r,3r,4s,5s,6s)-3,5-dihydroxy-4,6-dimethoxyoxan-2-yl]oxy}-6-hydroxy-8-methoxy-9,11-dimethyl-18-[(1z,4e)-2-methylhexa-1,4-dien-1-yl]-1-oxacyclooctadeca-9,13,15-trien-2-one
(3s,4r,4ar,5r,6as,6br,8ar,10r,12ar,12br,14bs)-2,2,6a,6b,9,9,12a-heptamethyl-4a-({[(2r,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-3,4,5,10-tetrol
1,3-bis(acetyloxy)-7,8-dimethyl-5-[(2-methylbutanoyl)oxy]-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl benzoate
(2s,3r,4s,5r)-2-{[(1s,3r,6s,8r,9s,11s,12s,14s,15r,16r)-6,14-dihydroxy-15-[(2r,5s)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-9-yl]oxy}oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-{[(1r,3ar,5r,5ar,7s,9ar,9bs,11ar)-1-[(2r,3e,5s)-5-ethyl-6-hydroxy-6-methylhept-3-en-2-yl]-5,5a-dihydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,5h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(3z,5e,9s,11e,13e,15s)-16-{4-[(5r)-6-ethyl-2-hydroxy-4-methoxy-5-methyloxan-2-yl]-3-hydroxypentan-2-yl}-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
(3z,5e,7r,8s,9r,11z,15s,16r)-16-[(2s,3r,4s)-4-[(2r,4r,5s,6r)-2,4-dihydroxy-6-isopropyl-5-methyloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
(2s,3r,4s,5s,6r)-2-{[(1s,2s,4r,6s)-4-[(1s)-1-[(1r,3as,3bs,7r,9s,9ar,9bs,11as)-7,9-dihydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethyl]-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1s,3r,5r,6as,7r,8r,10s,10as)-1,3-bis(acetyloxy)-7,8-dimethyl-5-{[(2r)-2-methylbutanoyl]oxy}-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl benzoate
2,2,6a,6b,9,9,12a-heptamethyl-4a-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-3,4,5,10-tetrol
n-(1-oxo-1-{[(8z,10z,16z)-3,13,22-trihydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(24),2,6,8,10,16,20,22-octaen-15-yl]oxy}propan-2-yl)cyclohexanecarboximidic acid
C36H50N2O7 (622.3617830000001)
12-o-cinnamoyl-20-o-ikemaoyl sarcostin
{"Ingredient_id": "HBIN000926","Ingredient_name": "12-o-cinnamoyl-20-o-ikemaoyl sarcostin","Alias": "NA","Ingredient_formula": "C37H50O8","Ingredient_Smile": "CC(C)C(=CC(=O)OC(C)C1(CCC2(C1(C(CC3C2(CC=C4C3(CCC(C4)O)C)O)OC(=O)C=CC5=CC=CC=C5)C)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3709","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
astramembrannin ii
{"Ingredient_id": "HBIN017247","Ingredient_name": "astramembrannin ii","Alias": "NA","Ingredient_formula": "C35H58O9","Ingredient_Smile": "CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)O)OC7C(C(C(CO7)O)O)O)C","Ingredient_weight": "622.8 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14414","TCMID_id": "1946","TCMSP_id": "NA","TCM_ID_id": "6518","PubChem_id": "132492418","DrugBank_id": "NA"}
beesioside a
{"Ingredient_id": "HBIN017675","Ingredient_name": "beesioside a","Alias": "NA","Ingredient_formula": "C35H58O9","Ingredient_Smile": "CC1(C2CCC3C4(CC(C(C4(CCC35C2(C5)CCC1OC6C(C(C(CO6)O)O)O)CO)C7(CCC(O7)C(C)(C)O)C)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2192","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,9r,16r)-3-benzyl-5,8,11,14-tetrahydroxy-9-[(4-hydroxyphenyl)methyl]-16-nonyl-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-2-one
(17z,19z,21z,23z,25z,27s,28r)-3-hexyl-6,8,10,12,14,16,27-heptahydroxy-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
(5r,6as,7r,8r,10s,10as)-1,3-bis(acetyloxy)-7,8-dimethyl-5-[(2-methylbutanoyl)oxy]-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl benzoate
(2s,3r,4s,5r)-2-{[(1s,3r,6s,8r,9s,11s,12s,14s,15r,16r)-9,14-dihydroxy-15-[(2s,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxy}oxane-3,4,5-triol
4-[(3,5-dihydroxy-4,6-dimethoxyoxan-2-yl)oxy]-6-hydroxy-8-methoxy-9,11-dimethyl-18-(2-methylhexa-1,4-dien-1-yl)-1-oxacyclooctadeca-9,13,15-trien-2-one
(3r,6s,9r,12s,15r,20as)-1,13-dihydroxy-15-(1-hydroxycyclopropyl)-3,6,9,12-tetraisopropyl-8-methyl-3h,6h,9h,12h,15h,18h,19h,20h,20ah-pyrrolo[2,1-l]1,7-dioxa-4,10,13,16-tetraazacyclooctadecane-4,7,10,16-tetrone
(1s,2r,4as,4br,6ar,7r,8r,9r,10ar,10br)-1,9-dihydroxy-7-(hydroxymethyl)-4',4',4a,4b,7,10a-hexamethyl-3,4,5,6,6a,8,9,10,10b,11-decahydro-1h-spiro[chrysene-2,1'-cyclopentan]-8-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
2-({2-[(acetyloxy)methyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl}oxy)-5-hydroxy-6-(hydroxymethyl)-4-(2-methylpropoxy)oxan-3-yl dodecanoate
(2r,3r,4s,5r,6r)-2-{[(2s,3s,4s,5r)-5-[(acetyloxy)methyl]-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-[(5-methylhexanoyl)oxy]oxan-3-yl (5s)-5-methylheptanoate
1-(7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-9a,11a-dimethyl-3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl)ethanone
(1s,2r,4as,4br,6ar,7r,8r,9r,10ar,10bs)-1,9-dihydroxy-7-(hydroxymethyl)-3',3',4b,7,10a-pentamethyl-1,3,4,4a,5,6,6a,8,9,10,10b,11-dodecahydrospiro[chrysene-2,1'-cyclopentan]-8-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(1r,3bs,5s,5as,7s,9as,9br,11ar)-1-[(2r,3e,5s,6r)-7-{[(2s,3s,4r,5s,6s)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,4h,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-3b,5,7-triol
3-{[5-({2-[(5-aminopentyl)(hydroxy)carbamoyl]-1-hydroxyethylidene}amino)pentyl](hydroxy)carbamoyl}-n-[5-(n-hydroxy-2-phenylacetamido)pentyl]propanimidic acid
n-(1-oxo-1-{[(6e,8e,10z,16e)-3,15,22-trihydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(24),2,6,8,10,16,20,22-octaen-13-yl]oxy}propan-2-yl)cyclohexanecarboximidic acid
C36H50N2O7 (622.3617830000001)
2-({5-[(acetyloxy)methyl]-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl}oxy)-5-hydroxy-6-(hydroxymethyl)-4-[(5-methylhexanoyl)oxy]oxan-3-yl 5-methylheptanoate
(3e,5z,7r,8s,9s,11z,13z,15s,16r)-16-[(2s,3r,4s)-4-[(2r,4r,5s,6r)-6-ethyl-4-hydroxy-2-methoxy-5-methyloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
(3z,5e,11e,13e)-16-[4-(2,4-dihydroxy-6-isopropyl-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
1-(7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-9a,11a-dimethyl-3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl)ethanone
(1s,2r,4as,4br,6ar,7r,8r,9r,10ar,10br)-1,8,9-trihydroxy-4',4',4a,4b,7,10a-hexamethyl-3,4,5,6,6a,8,9,10,10b,11-decahydro-1h-spiro[chrysene-2,1'-cyclopentan]-7-ylmethyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
7',9',13'-trimethyl-5-methylidene-14'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,15',16'-triol
1-[(3as,3br,7s,9ar,9bs,11as)-7-{[(2r,3s,4s,5s,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-9a,11a-dimethyl-3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethanone
methyl 2,6,10,15,19,23,23-heptamethyl-24-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]tetracosa-2,4,6,8,10,12,14,16,18,20-decaenoate
(2s,3r,4s,5r)-2-{[(1s,3r,6s,8r,10s,11s,12s,14s,15r,16r)-10,14-dihydroxy-15-[(2r,5s)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxy}oxane-3,4,5-triol
n-[(2s)-1-oxo-1-{[(5r,6e,8e,10z,13s,14r,15s,16e)-3,13,22-trihydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(24),2,6,8,10,16,20,22-octaen-15-yl]oxy}propan-2-yl]cyclohexanecarboximidic acid
C36H50N2O7 (622.3617830000001)
3,8,13a-trihydroxy-2,9,9,12-tetramethyl-4-[(2-methylbutanoyl)oxy]-5-methylidene-6-[(2-methylpropanoyl)oxy]-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-7-yl 2-methylbutanoate
(2s,3r,4s,5r)-2-{[(1s,3r,6s,8s,10s,11r,12s,14s,15r,16r)-10,14-dihydroxy-15-[(2r,5s)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxy}oxane-3,4,5-triol
(3z,5e,7r,8s,9s,11e,13e,15s)-16-[(2s,3r,4s)-4-[(2r,4r,5s,6r)-2,4-dihydroxy-6-isopropyl-5-methyloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
n-[1-oxo-1-({3,13,22-trihydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(24),2,6,8,10,16,20,22-octaen-15-yl}oxy)propan-2-yl]cyclohexanecarboximidic acid
C36H50N2O7 (622.3617830000001)
(2s,3r,4s,5r)-2-{[(1s,3r,6s,8r,9s,11s,12s,14s,15r,16r)-9,14-dihydroxy-15-[(2s,5s)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxy}oxane-3,4,5-triol
4a-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-3,4,5,10-tetrol
1-[(3as,3br,7s,9ar,9bs,11as)-7-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-9a,11a-dimethyl-3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethanone
2-{[7,10-dihydroxy-1-(3-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl acetate
(2r,3r,4s,5r,6r)-2-{[(2s,3s,4s,5r)-2-[(acetyloxy)methyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-(2-methylpropoxy)oxan-3-yl dodecanoate
2-({9,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)oxane-3,4,5-triol
(2r,3r,4r,5s,6s)-2-{[(1r,2s,3as,3bs,7s,9ar,9bs,10s,11as)-7,10-dihydroxy-1-[(2s,3s)-3-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl acetate
(3e,5e,7r,8r,9s,11e,13e,15s)-16-[(2s,3r,4s)-4-[(2s,4s,5r,6s)-2,4-dihydroxy-6-isopropyl-5-methyloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
16-[4-(6-ethyl-4-hydroxy-2-methoxy-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
n-[(2r)-1-{[(8e,10e,16z)-3,15-dihydroxy-5-methoxy-14-methyl-22,24-dioxo-2-azabicyclo[18.3.1]tetracosa-1(23),2,6,8,10,16,20-heptaen-13-yl]oxy}-1-oxopropan-2-yl]cyclohexanecarboximidic acid
(3z,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(2s,3r,4s)-4-[(2r,4r,5r,6r)-2,4-dihydroxy-6-isopropyl-5-methyloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
3-[(3s,3ar,4r,5ar,6s,7s,9ar,9br)-3-[(2s,4e)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)-4-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid
(2s,3s,3ar,4r,6s,7s,8s,12s,13ar)-3,8,13a-trihydroxy-2,9,9,12-tetramethyl-4-{[(2r)-2-methylbutanoyl]oxy}-5-methylidene-6-[(2-methylpropanoyl)oxy]-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-7-yl (2r)-2-methylbutanoate
10-hydroxy-8-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-4,4,7a,11b-tetramethyl-9-methylidene-decahydronaphtho[2,1-b]oxepin-3-yl (2e,4e,6e)-8-methyldeca-2,4,6-trienoate
(1s,2r,4as,4br,6ar,7r,8r,9r,10ar,10bs)-1,9-dihydroxy-7-(hydroxymethyl)-3',3',4b,7,10a-pentamethyl-1,3,4,4a,5,6,6a,8,9,10,10b,11-dodecahydrospiro[chrysene-2,1'-cyclopentan]-8-yl (2z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
16-[4-(6-ethyl-2-hydroxy-4-methoxy-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
2-{[1-(5-ethyl-6-hydroxy-6-methylhept-3-en-2-yl)-5,5a-dihydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,5h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2-({10,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)oxane-3,4,5-triol
[(6s)-17-{2-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-3,5-dihydroxyphenyl}heptadecan-6-yl]oxysulfonic acid
(2s,3r,4s,5r)-2-{[(1s,3r,6s,8s,9s,11s,12s,14s,15r,16r)-9,14-dihydroxy-15-[(2s,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxy}oxane-3,4,5-triol
(1r,3as,3bs,4r,9ar,9bs,11ar)-1-[(2s,3r,5r)-5,6-dihydroxy-5,6-dimethyl-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl]-4-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
2-({6,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-9-yl}oxy)oxane-3,4,5-triol
(3s,4r,4ar,5r,6as,6br,8ar,10s,12ar,12br,14bs)-2,2,6a,6b,9,9,12a-heptamethyl-4a-({[(2r,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-3,4,5,10-tetrol
(3r,3as,4s,5ar,5br,7ar,11ar,11br,13ar,13br)-3,13-dihydroxy-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-4-{[(2r,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-tetradecahydrocyclopenta[a]chrysen-9-one
1-[(3as,3br,7s,9ar,9bs,11as)-7-{[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-9a,11a-dimethyl-3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethanone
(1s,2r,4as,4br,6ar,7r,8r,9r,10ar,10bs)-1,9-dihydroxy-7-(hydroxymethyl)-3',3',4b,7,10a-pentamethyl-1,3,4,4a,5,6,6a,8,9,10,10b,11-dodecahydrospiro[chrysene-2,1'-cyclopentan]-8-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
2-{[7,10-dihydroxy-1-(3-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl acetate
(1s,7r,8s,9ar,11ar)-1-[(2r,3r)-2,3-dihydroxy-6-methylheptan-2-yl]-5,8-dihydroxy-9a,11a-dimethyl-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one
(1's,2s,2's,3s,4's,7's,8'r,9's,12's,13'r,14's,15's,16'r)-7',9',13'-trimethyl-5-methylidene-14'-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,15',16'-triol
(2r,3r,4r,5r,6s)-2-{[(1r,2s,3as,3bs,7s,9ar,9bs,10s,11as)-7,10-dihydroxy-1-[(2s,3s)-3-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl acetate
1-(7-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,4h,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-3b,5,7-triol
4,5-dihydroxy-6-[(1-methoxy-5,7-dimethylnaphthalen-2-yl)oxy]oxan-3-yl 7-ethyl-1,1,7-trimethyl-decahydro-2h-phenanthrene-4a-carboxylate
(3r,4r,4ar,5r,6as,6br,8ar,10s,12ar,12br,14bs)-4a-({[(2r,3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-3,4,5,10-tetrol
10-hydroxy-8-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-4,4,7a,11b-tetramethyl-9-methylidene-decahydronaphtho[2,1-b]oxepin-3-yl 8-methyldeca-2,4,6-trienoate
3-benzyl-5,8,11,14-tetrahydroxy-9-[(4-hydroxyphenyl)methyl]-16-nonyl-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-2-one
n-(1-oxo-1-{[(8e,10e,16z)-3,15,22-trihydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(24),2,6,8,10,16,20,22-octaen-13-yl]oxy}propan-2-yl)cyclohexanecarboximidic acid
C36H50N2O7 (622.3617830000001)