Exact Mass: 511.314501
Exact Mass Matches: 511.314501
Found 346 metabolites which its exact mass value is equals to given mass value 511.314501,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cytochalasin Ppho
C30H41NO6 (511.29337260000005)
Cytochalasin Ppho is produced by Phomopsis sp Production by Phomopsis species
AFN911
AFN911 is a cytochrome P450 (CYP2D6) metabolite of Imatinib. Imatinib is a tyrosine kinase inhibitor, which is used to treat chronic myelogenous leukemia (CML) with BCR-ABL activity, gastrointestinal stromal tumors and acute lymphocytic leukemia (ALL). AFN911 is a 2-phenyl amino pyrimidine derivative. AFN911 is only found in individuals who have consumed or received the drug Imatinib.
CGP72383
CGP72383 is a metabolite of Imatinib. Cgp72383 belongs to the family of Acyclic Alkanes. These are acyclic hydrocarbons consisting only of n carbon atoms and m hydrogen atoms where m=2*n + 2.
(5E)-7-{4,6-Dihydroxy-2-[(1E,5E)-3-hydroxyocta-1,5-dien-1-yl]oxan-3-yl}hept-5-enoylcarnitine
(5E)-7-{4,6-dihydroxy-2-[(1E,5E)-3-hydroxyocta-1,5-dien-1-yl]oxan-3-yl}hept-5-enoylcarnitine is an acylcarnitine. More specifically, it is an (5E)-7-{4,6-dihydroxy-2-[(1E,5E)-3-hydroxyocta-1,5-dien-1-yl]oxan-3-yl}hept-5-enoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (5E)-7-{4,6-dihydroxy-2-[(1E,5E)-3-hydroxyocta-1,5-dien-1-yl]oxan-3-yl}hept-5-enoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine (5E)-7-{4,6-dihydroxy-2-[(1E,5E)-3-hydroxyocta-1,5-dien-1-yl]oxan-3-yl}hept-5-enoylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Cholylcysteine
C27H45NO6S (511.29674300000005)
tumonoic acid C
A natural product found particularly in Oscillatoria margaritifera and Oscillatoria margaritifera.
(3S,3aR,4S,5R,7R,8S,10S,12S,15R,15aR)-15-(acetyloxy)-2,3,3a,4,5,7,8,9,10,11,12,15-dodecahydro-5,7,8-trihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-1H-cycloundec[d]isoindol-1-one|21-(acetyloxy)-6,13,14-trihydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-7,19-dien-1-one
C30H41NO6 (511.29337260000005)
Ser Ile His Arg
His Lys Ile Asp
Ala Phe Phe Lys
C27H37N5O5 (511.27945520000003)
Ala Phe Lys Phe
C27H37N5O5 (511.27945520000003)
Ala Lys Phe Phe
C27H37N5O5 (511.27945520000003)
Asp His Ile Lys
Asp His Lys Ile
Asp His Lys Leu
Asp His Leu Lys
Asp Ile His Lys
Asp Ile Lys His
Asp Lys His Ile
Asp Lys His Leu
Asp Lys Ile His
Asp Lys Leu His
Asp Leu His Lys
Asp Leu Lys His
Glu His Lys Val
Glu His Val Lys
Glu Lys His Val
Glu Lys Val His
Glu Val His Lys
Glu Val Lys His
Phe Ala Phe Lys
C27H37N5O5 (511.27945520000003)
Phe Ala Lys Phe
C27H37N5O5 (511.27945520000003)
Phe Phe Ala Lys
C27H37N5O5 (511.27945520000003)
Phe Phe Lys Ala
C27H37N5O5 (511.27945520000003)
Phe Lys Ala Phe
C27H37N5O5 (511.27945520000003)
Phe Lys Phe Ala
C27H37N5O5 (511.27945520000003)
His Asp Ile Lys
His Asp Lys Ile
His Asp Lys Leu
His Asp Leu Lys
His Glu Lys Val
His Glu Val Lys
His Ile Asp Lys
His Ile Lys Asp
His Ile Arg Ser
His Ile Ser Arg
His Lys Asp Ile
His Lys Asp Leu
His Lys Glu Val
His Lys Leu Asp
His Lys Val Glu
His Leu Asp Lys
His Leu Lys Asp
His Leu Arg Ser
His Leu Ser Arg
His Arg Ile Ser
His Arg Leu Ser
His Arg Ser Ile
His Arg Ser Leu
His Arg Thr Val
His Arg Val Thr
His Ser Ile Arg
His Ser Leu Arg
His Ser Arg Ile
His Ser Arg Leu
His Thr Arg Val
His Thr Val Arg
His Val Glu Lys
His Val Lys Glu
His Val Arg Thr
His Val Thr Arg
Ile Asp His Lys
Ile Asp Lys His
Ile His Asp Lys
Ile His Lys Asp
Ile His Arg Ser
Ile His Ser Arg
Ile Lys Asp His
Ile Lys His Asp
Ile Pro Pro Trp
C27H37N5O5 (511.27945520000003)
Ile Pro Trp Pro
C27H37N5O5 (511.27945520000003)
Ile Arg His Ser
Ile Arg Ser His
Ile Ser His Arg
Ile Ser Arg His
Ile Trp Pro Pro
C27H37N5O5 (511.27945520000003)
Lys Ala Phe Phe
C27H37N5O5 (511.27945520000003)
Lys Asp His Ile
Lys Asp His Leu
Lys Asp Ile His
Lys Asp Leu His
Lys Glu His Val
Lys Glu Val His
Lys Phe Ala Phe
C27H37N5O5 (511.27945520000003)
Lys Phe Phe Ala
C27H37N5O5 (511.27945520000003)
Lys His Asp Ile
Lys His Asp Leu
Lys His Glu Val
Lys His Ile Asp
Lys His Leu Asp
Lys His Val Glu
Lys Ile Asp His
Lys Ile His Asp
Lys Leu Asp His
Lys Leu His Asp
Lys Val Glu His
Lys Val His Glu
Leu Asp His Lys
Leu Asp Lys His
Leu His Asp Lys
Leu His Lys Asp
Leu His Arg Ser
Leu His Ser Arg
Leu Lys Asp His
Leu Lys His Asp
Leu Pro Pro Trp
C27H37N5O5 (511.27945520000003)
Leu Pro Trp Pro
C27H37N5O5 (511.27945520000003)
Leu Arg His Ser
Leu Arg Ser His
Leu Ser His Arg
Leu Ser Arg His
Leu Trp Pro Pro
C27H37N5O5 (511.27945520000003)
Pro Ile Pro Trp
C27H37N5O5 (511.27945520000003)
Pro Ile Trp Pro
C27H37N5O5 (511.27945520000003)
Pro Leu Pro Trp
C27H37N5O5 (511.27945520000003)
Pro Leu Trp Pro
C27H37N5O5 (511.27945520000003)
Pro Pro Ile Trp
C27H37N5O5 (511.27945520000003)
Pro Pro Leu Trp
C27H37N5O5 (511.27945520000003)
Pro Pro Trp Ile
C27H37N5O5 (511.27945520000003)
Pro Pro Trp Leu
C27H37N5O5 (511.27945520000003)
Pro Trp Ile Pro
C27H37N5O5 (511.27945520000003)
Pro Trp Leu Pro
C27H37N5O5 (511.27945520000003)
Pro Trp Pro Ile
C27H37N5O5 (511.27945520000003)
Pro Trp Pro Leu
C27H37N5O5 (511.27945520000003)
Arg His Ile Ser
Arg His Leu Ser
Arg His Ser Ile
Arg His Ser Leu
Arg His Thr Val
Arg His Val Thr
Arg Ile His Ser
Arg Ile Ser His
Arg Leu His Ser
Arg Leu Ser His
Arg Ser His Ile
Arg Ser His Leu
Arg Ser Ile His
Arg Ser Leu His
Arg Thr His Val
Arg Thr Val His
Arg Val His Thr
Arg Val Thr His
Ser His Ile Arg
Ser His Leu Arg
Ser His Arg Ile
Ser His Arg Leu
Ser Ile Arg His
Ser Leu His Arg
Ser Leu Arg His
Ser Arg His Ile
Ser Arg His Leu
Ser Arg Ile His
Ser Arg Leu His
Thr His Arg Val
Thr His Val Arg
Thr Arg His Val
Thr Arg Val His
Thr Val His Arg
Thr Val Arg His
Val Glu His Lys
Val Glu Lys His
Val His Glu Lys
Val His Lys Glu
Val His Arg Thr
Val His Thr Arg
Val Lys Glu His
Val Lys His Glu
Val Arg His Thr
Val Arg Thr His
Val Thr His Arg
Val Thr Arg His
Trp Ile Pro Pro
C27H37N5O5 (511.27945520000003)
Trp Leu Pro Pro
C27H37N5O5 (511.27945520000003)
Trp Pro Ile Pro
C27H37N5O5 (511.27945520000003)
Trp Pro Leu Pro
C27H37N5O5 (511.27945520000003)
Trp Pro Pro Ile
C27H37N5O5 (511.27945520000003)
Trp Pro Pro Leu
C27H37N5O5 (511.27945520000003)
AFN911
Cytochalasin Ppho
C30H41NO6 (511.29337260000005)
Hydrocortamate Hydrochloride
C27H42ClNO6 (511.27005020000007)
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
N-cyclohexylcyclohexanamine,(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(prop-2-enoxycarbonylamino)hexanoic acid
C27H49N3O6 (511.36211740000005)
1,1-(Isopropylimino)bis{3-[4-(2-methoxyethyl)phenoxy]-2-propanol} hydrochloride (1:1)
C27H42ClNO6 (511.27005020000007)
BUTANE
CGP72383 is a metabolite of Imatinib. Cgp72383 belongs to the family of Acyclic Alkanes. These are acyclic hydrocarbons consisting only of n carbon atoms and m hydrogen atoms where m=2*n + 2. Aerosol propellant
1-Octadecanoyl-sn-glycero-3-phospho-(1-sn-glycerol)(1-)
[(2S,3S,5S)-2-[(3S,5S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5,6-dimethylheptan-3-yl] sulfate
(5E)-7-{4,6-Dihydroxy-2-[(1E,5E)-3-hydroxyocta-1,5-dien-1-yl]oxan-3-yl}hept-5-enoylcarnitine
1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea
C27H37N5O5 (511.27945520000003)
1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea
C27H37N5O5 (511.27945520000003)
N-[(5S,6R,9R)-5-methoxy-8-[(2-methoxyphenyl)methyl]-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
C29H41N3O5 (511.30460560000006)
1-[[(2R,3S)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea
C27H37N5O5 (511.27945520000003)
1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea
C27H37N5O5 (511.27945520000003)
1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea
C27H37N5O5 (511.27945520000003)
N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C29H41N3O5 (511.30460560000006)
N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C29H41N3O5 (511.30460560000006)
1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea
C27H37N5O5 (511.27945520000003)
N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C29H41N3O5 (511.30460560000006)
N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C29H41N3O5 (511.30460560000006)
N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C29H41N3O5 (511.30460560000006)
N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide
4-(dimethylamino)-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
C28H41N5O4 (511.31583860000006)
4-(dimethylamino)-N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
C28H41N5O4 (511.31583860000006)
1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea
C27H37N5O5 (511.27945520000003)
1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea
C27H37N5O5 (511.27945520000003)
4-(dimethylamino)-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
C28H41N5O4 (511.31583860000006)
1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea
C27H37N5O5 (511.27945520000003)
1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea
C27H37N5O5 (511.27945520000003)
1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea
C27H37N5O5 (511.27945520000003)
1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea
C27H37N5O5 (511.27945520000003)
N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C29H41N3O5 (511.30460560000006)
N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C29H41N3O5 (511.30460560000006)
N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C29H41N3O5 (511.30460560000006)
N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C29H41N3O5 (511.30460560000006)
N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C29H41N3O5 (511.30460560000006)
N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C29H41N3O5 (511.30460560000006)
N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C29H41N3O5 (511.30460560000006)
N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C29H41N3O5 (511.30460560000006)
N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C29H41N3O5 (511.30460560000006)
N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C29H41N3O5 (511.30460560000006)
2-(dimethylamino)-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(pyridin-4-yl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
C27H37N5O5 (511.27945520000003)
4-methoxy-N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
eurysterol B(1-)
C27H43O7S- (511.27293480000003)
An organosulfonate oxoanion obtained by the deprotonation of the sulfate group of eurysterol B hydrogen sulfate.
11beta,17-dihydroxy-3,20-dioxopregn-4-en-21-yl N,N-diethylglycinate hydrochloride
C27H42ClNO6 (511.27005020000007)
[(2S)-2,3-dihydroxypropyl] [(2S)-2-hydroxy-3-octadecanoyloxypropyl] phosphate
2-aminoethyl [3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-2-hydroxypropyl] hydrogen phosphate
C27H46NO6P (511.30625860000004)
2-Amino-3-[(3-heptadecanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxypropanoic acid
3-hydroxy-2-[[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]amino]decane-1-sulfonic acid
C28H49NO5S (511.3331264000001)
(E)-2-[[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]amino]-3-hydroxydodec-4-ene-1-sulfonic acid
C28H49NO5S (511.3331264000001)
(4E,8E)-2-[[(9Z,12Z)-hexadeca-9,12-dienoyl]amino]-3-hydroxydodeca-4,8-diene-1-sulfonic acid
C28H49NO5S (511.3331264000001)
2-[[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]amino]-3-hydroxydodecane-1-sulfonic acid
C28H49NO5S (511.3331264000001)
(4E,8E,12E)-3-hydroxy-2-[[(Z)-tridec-9-enoyl]amino]pentadeca-4,8,12-triene-1-sulfonic acid
C28H49NO5S (511.3331264000001)
(4E,8E,12E)-3-hydroxy-2-[[(Z)-tetradec-9-enoyl]amino]tetradeca-4,8,12-triene-1-sulfonic acid
C28H49NO5S (511.3331264000001)
(E)-3-hydroxy-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]amino]dec-4-ene-1-sulfonic acid
C28H49NO5S (511.3331264000001)
4-[3-acetyloxy-2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxypropoxy]-2-(trimethylazaniumyl)butanoate
C28H49NO7 (511.35088440000004)
(2S)-2-amino-3-[hydroxy-[(2R)-1,1,2,3,3-pentadeuterio-3-heptadecanoyloxy-2-hydroxypropoxy]phosphoryl]oxypropanoic acid
(2S)-2-amino-3-[hydroxy-[(2R)-1,1,3,3-tetradeuterio-3-heptadecanoyloxy-2-hydroxypropoxy]phosphoryl]oxypropanoic acid
phosphatidylserine O-18:0/0:0
C24H50NO8P (511.32738700000004)
A glycero-3-phosphoserine that is sn-glycero-3-phospho-L-serine substituted at position 1 by an octadecyl group.
1-O-(2-methoxyhexadecyl)-sn-glycerol-3-phosphocholine
1-(2-methoxy-6Z-hexadecenyl)-sn-glycero-3-phosphoserine
1-(2-methoxy-5Z-hexadecenyl)-sn-glycero-3-phosphoserine
3,9-dihydroxy-5-(1h-indol-3-ylmethyl)-7,8,14,16-tetramethyl-4,21-diazatetracyclo[16.2.1.0²,⁶.0²,¹⁰]henicosa-1(20),3,7,11,18-pentaen-17-one
(3s,3ar,4s,5r,6s,6ar,10s,12r,15r,15ar)-3-benzyl-1,5,6,12-tetrahydroxy-4,5,10,12-tetramethyl-3h,3ah,4h,6h,6ah,9h,10h,11h,15h-cycloundeca[d]isoindol-15-yl acetate
C30H41NO6 (511.29337260000005)
(2e,6e)-7-[(1as,2r,2ar,5s,5ar,6s,6ar)-3-hydroxy-5-(1h-indol-3-ylmethyl)-6,6a-dimethyl-2a-(1h-pyrrol-2-yl)-1ah,2h,5h,5ah,6h-oxireno[2,3-f]isoindol-2-yl]-2,4-dimethylhepta-2,6-dienal
(2r,5s,6r,9s,10r,14s,16r)-3,9-dihydroxy-5-(1h-indol-3-ylmethyl)-7,8,14,16-tetramethyl-4,21-diazatetracyclo[16.2.1.0²,⁶.0²,¹⁰]henicosa-1(20),3,7,11,18-pentaen-17-one
(1s,5r,8r,9r,10r,11s,12r,13s,15s,16r)-12-hydroxy-12-(hydroxymethyl)-5,7-dimethyl-7-azahexacyclo[7.6.2.2¹⁰,¹³.0¹,⁸.0⁵,¹⁶.0¹⁰,¹⁵]nonadecan-11-yl 3,4-dimethoxybenzoate
C30H41NO6 (511.29337260000005)
15-veratroyldictizine
C30H41NO6 (511.29337260000005)
{"Ingredient_id": "HBIN001729","Ingredient_name": "15-veratroyldictizine","Alias": "NA","Ingredient_formula": "C30H41NO6","Ingredient_Smile": "CC12CCCC34C1CC(C3N(C2)C)C56C4CC(CC5)C(C6OC(=O)C7=CC(=C(C=C7)OC)OC)(CO)O","Ingredient_weight": "511.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "22377","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21579303","DrugBank_id": "NA"}
12-hydroxy-12-(hydroxymethyl)-5,7-dimethyl-7-azahexacyclo[7.6.2.2¹⁰,¹³.0¹,⁸.0⁵,¹⁶.0¹⁰,¹⁵]nonadecan-11-yl 3,4-dimethoxybenzoate
C30H41NO6 (511.29337260000005)
(2-{[(2s)-2-hydroxy-3-[(2-methoxyhexadecyl)oxy]propyl phosphonato]oxy}ethyl)trimethylazanium
{[(11z)-1,7,9-trihydroxy-11,14-dimethyl-5-[(6e)-5-methyloct-6-en-2-yl]-3-oxo-4,17-dioxabicyclo[11.3.1]heptadec-11-en-15-yl]oxy}methanimidic acid
{[1,7,9-trihydroxy-11,14-dimethyl-5-(5-methyloct-6-en-2-yl)-3-oxo-4,17-dioxabicyclo[11.3.1]heptadec-11-en-15-yl]oxy}methanimidic acid
(2r,5s,6r,7s,8r,10r,11r,15s,17r)-3-hydroxy-5-(1h-indol-3-ylmethyl)-7,8,15,17-tetramethyl-9-oxa-4,22-diazapentacyclo[17.2.1.0²,⁶.0²,¹¹.0⁸,¹⁰]docosa-1(21),3,12,19-tetraen-18-one
methyl 3-[(3s,3'r,3'as,6's,6as,6br,7'ar,9r,11as,11br)-3-hydroxy-3',6',10,11b-tetramethyl-11-oxo-1,2,3,3',3'a,4,5',6,6',6a,6b,7,7',7'a,8,11a-hexadecahydrospiro[cyclohexa[a]fluorene-9,2'-furo[3,2-b]pyridin]-4'-yl]propanoate
C31H45NO5 (511.32975600000003)
(2s,3s)-2-(4,8-dimethylnona-3,7-dien-1-yl)-3,5-dihydroxy-2-methyl-8-(naphthalen-1-yl)-3h,4h,9h-pyrano[2,3-e]isoindol-7-one
C33H37NO4 (511.27224420000005)
3-hydroxy-5-(1h-indol-3-ylmethyl)-7,8,15,17-tetramethyl-9-oxa-4,22-diazapentacyclo[17.2.1.0²,⁶.0²,¹¹.0⁸,¹⁰]docosa-1(21),3,12,19-tetraen-18-one
3-benzyl-1,5,7,8-tetrahydroxy-4,5,10,12-tetramethyl-3h,3ah,4h,7h,8h,9h,10h,11h,12h,15h-cycloundeca[d]isoindol-15-yl acetate
C30H41NO6 (511.29337260000005)
2-{[2-(3-amino-2-hydroxy-n-methyldecanamido)-1-hydroxy-4-(methylsulfanyl)butylidene]amino}-3-(4-hydroxyphenyl)propanoic acid
C25H41N3O6S (511.2715926000001)
(2s)-2-{[(2s)-1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-(4-hydroxyphenyl)propylidene]amino}-n-[(2r)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-3-methylbutanimidic acid
n-[(5r)-5-{4-hydroxy-6-oxo-5-[(9z)-2,5,9-trimethyltetradeca-2,4,9,12-tetraenoyl]pyran-2-yl}hex-1-en-1-yl]methoxycarboximidic acid
C30H41NO6 (511.29337260000005)
2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-(4-hydroxyphenyl)propylidene}amino)-n-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-3-methylbutanimidic acid
11-ethyl-8-hydroxy-6,16-dimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate
C30H41NO6 (511.29337260000005)
(2r,5s,6r,7s,8r,10r,11r,15s,17s)-3-hydroxy-5-(1h-indol-3-ylmethyl)-7,8,15,17-tetramethyl-9-oxa-4,22-diazapentacyclo[17.2.1.0²,⁶.0²,¹¹.0⁸,¹⁰]docosa-1(21),3,12,19-tetraen-18-one
(1r,3s,4r,6s,9r,10r,12s,13r,14s,17s,19s,21r)-6-(hydroxymethyl)-10,13,14,19-tetramethyl-24,27-dioxa-23-azaoctacyclo[11.10.3.1³,⁷.1¹⁷,²¹.0¹,¹⁴.0³,¹².0⁴,⁹.0¹⁷,²³]octacosane-8,11,25-trione
C30H41NO6 (511.29337260000005)
(3s,3ar,4s,5s,6s,6ar,10s,12r,15r,15ar)-3-benzyl-1,5,6,12-tetrahydroxy-4,5,10,12-tetramethyl-3h,3ah,4h,6h,6ah,9h,10h,11h,15h-cycloundeca[d]isoindol-15-yl acetate
C30H41NO6 (511.29337260000005)
3,9-dihydroxy-5-(1h-indol-3-ylmethyl)-7,14,16-trimethyl-8-methylidene-4,21-diazatetracyclo[16.2.1.0²,⁶.0²,¹⁰]henicosa-1(20),3,11,18-tetraen-17-one
7-[3-hydroxy-5-(1h-indol-3-ylmethyl)-6,6a-dimethyl-2a-(1h-pyrrol-2-yl)-1ah,2h,5h,5ah,6h-oxireno[2,3-f]isoindol-2-yl]-2,4-dimethylhepta-2,6-dienal
3-hydroxy-5-(1h-indol-3-ylmethyl)-7,8,15,17-tetramethyl-9-oxa-4,22-diazapentacyclo[17.2.1.0²,⁶.0²,¹¹.0⁸,¹⁰]docosa-1(22),3,12,16-tetraen-18-one
(2r,5s,6r,7s,9s,10r,14s,16s)-3,9-dihydroxy-5-(1h-indol-3-ylmethyl)-7,14,16-trimethyl-8-methylidene-4,21-diazatetracyclo[16.2.1.0²,⁶.0²,¹⁰]henicosa-1(20),3,11,18-tetraen-17-one
(2s)-2-{[(2s)-1-hydroxy-2-[(1-hydroxybutylidene)amino]-3-(4-hydroxyphenyl)propylidene]amino}-n-[(2r)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-4-methylpentanimidic acid
(2r,5s,6r,9s,10r,14s,16s)-3,9-dihydroxy-5-(1h-indol-3-ylmethyl)-7,8,14,16-tetramethyl-4,21-diazatetracyclo[16.2.1.0²,⁶.0²,¹⁰]henicosa-1(20),3,7,11,18-pentaen-17-one
(3s,3ar,4s,5r,7r,8s,10s,12s,15r,15ar)-3-benzyl-1,5,7,8-tetrahydroxy-4,5,10,12-tetramethyl-3h,3ah,4h,7h,8h,9h,10h,11h,12h,15h-cycloundeca[d]isoindol-15-yl acetate
C30H41NO6 (511.29337260000005)
2-({1-hydroxy-2-[(1-hydroxybutylidene)amino]-3-(4-hydroxyphenyl)propylidene}amino)-n-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-4-methylpentanimidic acid
(2s)-2-{[(2s)-2-[(2s,3s)-3-amino-2-hydroxy-n-methyldecanamido]-1-hydroxy-4-(methylsulfanyl)butylidene]amino}-3-(4-hydroxyphenyl)propanoic acid
C25H41N3O6S (511.2715926000001)
{[(1r,5s,7r,9s,11z,13r,14r,15r)-1,7,9-trihydroxy-11,14-dimethyl-5-[(2s,5r,6e)-5-methyloct-6-en-2-yl]-3-oxo-4,17-dioxabicyclo[11.3.1]heptadec-11-en-15-yl]oxy}methanimidic acid
(2s)-6-amino-2-{[(2s)-2-{[(2s)-1,2-dihydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-phenylpropylidene]amino}-n-[(1s)-1-(c-hydroxycarbonimidoyl)ethyl]hexanimidic acid
C27H37N5O5 (511.27945520000003)
(2s)-2-{[(2r)-2-[(2s)-1-[(2r,4e)-3-hydroxy-2,4-dimethyldodec-4-enoyl]pyrrolidine-2-carbonyloxy]-3-methylbutanoyl]oxy}propanoic acid
(2s)-2-{[(2s)-1-hydroxy-2-[(1-hydroxybutylidene)amino]-3-(4-hydroxyphenyl)propylidene]amino}-n-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-4-methylpentanimidic acid
(2r,6r,7s,8r,10s,11r,12z,15s,16z,19s)-3-hydroxy-5-(1h-indol-3-ylmethyl)-7,8,15,17-tetramethyl-9-oxa-4,22-diazapentacyclo[17.2.1.0²,⁶.0²,¹¹.0⁸,¹⁰]docosa-1(22),3,12,16-tetraen-18-one
2-({2-[1-(3-hydroxy-2,4-dimethyldodec-4-enoyl)pyrrolidine-2-carbonyloxy]-3-methylbutanoyl}oxy)propanoic acid
(2s)-2-{[(2s)-1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-(4-hydroxyphenyl)propylidene]amino}-n-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-3-methylbutanimidic acid
(2r,5s,6r,7s,8r,10s,11r,12e,15s,16e,19s)-3-hydroxy-5-(1h-indol-3-ylmethyl)-7,8,15,17-tetramethyl-9-oxa-4,22-diazapentacyclo[17.2.1.0²,⁶.0²,¹¹.0⁸,¹⁰]docosa-1(22),3,12,16-tetraen-18-one
3-benzyl-1,5,6,12-tetrahydroxy-4,5,10,12-tetramethyl-3h,3ah,4h,6h,6ah,9h,10h,11h,15h-cycloundeca[d]isoindol-15-yl acetate
C30H41NO6 (511.29337260000005)
methyl 3-{3-hydroxy-3',6',10,11b-tetramethyl-11-oxo-1,2,3,3',3'a,4,5',6,6',6a,6b,7,7',7'a,8,11a-hexadecahydrospiro[cyclohexa[a]fluorene-9,2'-furo[3,2-b]pyridin]-4'-yl}propanoate
C31H45NO5 (511.32975600000003)