Exact Mass: 450.18897300000003
Exact Mass Matches: 450.18897300000003
Found 500 metabolites which its exact mass value is equals to given mass value 450.18897300000003
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Geranylgeranyl-PP
Geranylgeranyl pyrophosphate, also known as geranylgeranyl-PP or GGPP, is an intermediate in the HMG-CoA reductase pathway used by organisms in the biosynthesis of terpenes and terpenoids. This compound belongs to the family of acyclic diterpenes. These are diterpenes (compounds made of four consecutive isoprene units) that do not contain a cycle. Thus, GGPP is considered to be an isoprenoid lipid molecule. GGPP is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Geranylgeranyl pyrophosphate is an intermediate in the HMG-CoA reductase pathway used by organisms in the biosynthesis of terpenes and terpenoids. [HMDB]. Geranylgeranyl-PP is found in many foods, some of which are burdock, longan, calabash, and cloves.
ent-Copalyl diphosphate
Ent-copalyl diphosphate, also known as (-)-copalyl diphosphoric acid or 5a,9a,10b-labda-8(20),13-dien-15-yl diphosphate, is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Thus, ent-copalyl diphosphate is considered to be an isoprenoid lipid molecule. Ent-copalyl diphosphate is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Ent-copalyl diphosphate can be found in a number of food items such as german camomile, sweet basil, eggplant, and cardoon, which makes ent-copalyl diphosphate a potential biomarker for the consumption of these food products.
Acotiamide
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03F - Propulsives > A03FA - Propulsives D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D005765 - Gastrointestinal Agents D004791 - Enzyme Inhibitors
Terpentedienyl diphosphate
tuberculosinol diphosphate
(13E)-Labda-7,13-dien-15-yl diphosphate; (13E)-Labda-7,13-dienyl diphosphate
2-cis,6-trans,10-trans-Geranylgeranyl diphosphate
This compound belongs to the family of Acyclic Diterpenes. These are diterpenes (compounds made of four consecutive isoprene units) that do not contain a cycle.
syn-Copalyl diphosphate
Syn-copalyl diphosphate is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Thus, syn-copalyl diphosphate is considered to be an isoprenoid lipid molecule. Syn-copalyl diphosphate is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Syn-copalyl diphosphate can be found in rice, which makes syn-copalyl diphosphate a potential biomarker for the consumption of this food product.
(2E)-3-methyl-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate
phosphono [(2Z,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] hydrogen phosphate
(2E)-3-methyl-5-[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate
Arnamiol
Arnamiol is found in mushrooms. Arnamiol is from Armillaria mellea (honey mushroom From Armillaria mellea (honey mushroom). Arnamiol is found in mushrooms.
Flutroline
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Geranylgeraniol diphosphate
methyl (Z)-6-(3,7-dimethyl-2-oxo-1,3-benzoxazol-5-yl)-6-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)hex-5-enoate
Phosphono 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl hydrogen phosphate
Tectol
Tectol is a natural product found in Markhamia stipulata, Firmiana simplex, and other organisms with data available. Tectol, isolated from Lippia sidoides, exhibits significant activity against human leukemia cell lines HL60 and CEM[1]. Tectol is a farnesyltransferase (FTase) inhibitor with IC50s of 2.09 and 1.73 μM for human and T. brucei FTase, respectively. Tectol inhibits drug-resistant strain of P. falciparum (FcB1) with an IC50 of 3.44 μM[1][2].
1-N-methyl-3-methylamino-[N-butanoic acid-3-(9-methyl-8-propen-7-one)amide]benzo[f][1,7]naphthyridine-2-one
C24H26N4O5 (450.19031060000003)
(+)-(7R,7R,8S,8S)-40-hydroxy-3,3,4,5,5-pentamethoxy-7,7-epoxylignan-9,9-diol
4,9-Di(2-hydroxy-3-methoxy-3-methylbutoxy)-7H-furo[3,2-g][1]benzopyran-7-one
10beta-hydroxy-8beta-tiglinoyloxy-1-O-methylhirsutinolide-13-O-acetate
6-O-Methacrylate
6-O-Methacryloyltrilobolide is a natural product found in Sphagneticola trilobata with data available.
Ala Glu Met Thr
Ala Glu Thr Met
Ala His His Ser
Ala His Ser His
Ala Met Glu Thr
Ala Met Met Val
Ala Met Thr Glu
Ala Met Val Met
Ala Ser His His
Ala Thr Glu Met
Ala Thr Met Glu
Ala Val Met Met
Cys Cys Ile Ile
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Cys Cys Leu Leu
Cys Asp Ile Thr
Cys Asp Leu Thr
Cys Asp Thr Ile
Cys Asp Thr Leu
Cys Glu Ile Ser
Cys Glu Leu Ser
Cys Glu Ser Ile
Cys Glu Ser Leu
Cys Glu Thr Val
Cys Glu Val Thr
Cys Ile Cys Ile
Cys Ile Cys Leu
Cys Ile Asp Thr
Cys Ile Glu Ser
Cys Ile Ile Cys
Cys Ile Leu Cys
Cys Ile Ser Glu
Cys Ile Thr Asp
Cys Lys Asn Ser
Cys Lys Ser Asn
Cys Leu Cys Ile
Cys Leu Cys Leu
Cys Leu Asp Thr
Cys Leu Glu Ser
Cys Leu Ile Cys
Cys Leu Leu Cys
Cys Leu Ser Glu
Cys Leu Thr Asp
Cys Met Val Val
Cys Asn Lys Ser
Cys Asn Ser Lys
Cys Ser Glu Ile
Cys Ser Glu Leu
Cys Ser Ile Glu
Cys Ser Lys Asn
Cys Ser Leu Glu
Cys Ser Asn Lys
Cys Thr Asp Ile
Cys Thr Asp Leu
Cys Thr Glu Val
Cys Thr Ile Asp
Cys Thr Leu Asp
Cys Thr Val Glu
Cys Val Glu Thr
Cys Val Met Val
Cys Val Thr Glu
Cys Val Val Met
Asp Cys Ile Thr
Asp Cys Leu Thr
Asp Cys Thr Ile
Asp Cys Thr Leu
Asp Ile Cys Thr
Asp Ile Thr Cys
Asp Leu Cys Thr
Asp Leu Thr Cys
Asp Met Ser Val
Asp Met Val Ser
Asp Ser Met Val
Asp Ser Val Met
Asp Thr Cys Ile
Asp Thr Cys Leu
Asp Thr Ile Cys
Asp Thr Leu Cys
Asp Val Met Ser
Asp Val Ser Met
Glu Ala Met Thr
Glu Ala Thr Met
Glu Cys Ile Ser
Glu Cys Leu Ser
Glu Cys Ser Ile
Glu Cys Ser Leu
Glu Cys Thr Val
Glu Cys Val Thr
Glu Ile Cys Ser
Glu Ile Ser Cys
Glu Leu Cys Ser
Glu Leu Ser Cys
Glu Met Ala Thr
Glu Met Thr Ala
Glu Ser Cys Ile
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Glu Ser Ile Cys
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Glu Thr Ala Met
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Glu Thr Met Ala
Glu Thr Thr Thr
Glu Thr Val Cys
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Glu Val Thr Cys
Phe Gly Met Pro
Phe Gly Asn Asn
Phe Gly Pro Met
Phe Met Gly Pro
Phe Met Pro Gly
Phe Asn Gly Asn
Phe Asn Asn Gly
Phe Pro Gly Met
Phe Pro Met Gly
Gly Phe Met Pro
Gly Phe Asn Asn
Gly Phe Pro Met
Gly His His Thr
Gly His Thr His
Gly Ile Met Met
Gly Leu Met Met
Gly Met Phe Pro
Gly Met Ile Met
Gly Met Leu Met
Gly Met Met Ile
Gly Met Met Leu
Gly Met Pro Phe
Gly Asn Phe Asn
Gly Asn Asn Phe
Gly Pro Phe Met
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Gly Thr His His
His Ala His Ser
His Ala Ser His
His Gly His Thr
His Gly Thr His
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His His Gly Thr
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His His Thr Gly
His Ser Ala His
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His Thr His Gly
Ile Cys Cys Ile
Ile Cys Cys Leu
Ile Cys Asp Thr
Ile Cys Glu Ser
Ile Cys Ile Cys
Ile Cys Leu Cys
Ile Cys Ser Glu
Ile Cys Thr Asp
Ile Asp Cys Thr
Ile Asp Thr Cys
Ile Glu Cys Ser
Ile Glu Ser Cys
Ile Gly Met Met
Ile Ile Cys Cys
Ile Leu Cys Cys
Ile Met Gly Met
Ile Met Met Gly
Ile Ser Cys Glu
Ile Ser Glu Cys
Ile Thr Cys Asp
Ile Thr Asp Cys
Lys Cys Asn Ser
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Lys Asn Cys Ser
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Lys Ser Asn Cys
Leu Cys Cys Ile
Leu Cys Cys Leu
Leu Cys Asp Thr
Leu Cys Glu Ser
Leu Cys Ile Cys
Leu Cys Leu Cys
Leu Cys Ser Glu
Leu Cys Thr Asp
Leu Asp Cys Thr
Leu Asp Thr Cys
Leu Glu Cys Ser
Leu Glu Ser Cys
Leu Gly Met Met
Leu Ile Cys Cys
Leu Leu Cys Cys
Leu Met Gly Met
Leu Met Met Gly
Leu Ser Cys Glu
Leu Ser Glu Cys
Leu Thr Cys Asp
Leu Thr Asp Cys
Met Ala Glu Thr
Met Ala Met Val
Met Ala Thr Glu
Met Ala Val Met
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Met Asp Val Ser
Met Glu Ala Thr
Met Glu Thr Ala
Met Phe Gly Pro
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Met Gly Met Ile
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Met Ile Gly Met
Met Ile Met Gly
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Met Met Gly Ile
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Met Met Ile Gly
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Met Met Val Ala
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Met Pro Gly Phe
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Met Thr Ala Glu
Met Thr Glu Ala
Met Val Ala Met
Met Val Cys Val
Met Val Asp Ser
Met Val Met Ala
Met Val Ser Asp
Met Val Val Cys
Asn Cys Lys Ser
Asn Cys Ser Lys
Asn Phe Gly Asn
Asn Phe Asn Gly
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Asn Lys Ser Cys
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Asn Asn Gly Phe
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Asn Ser Lys Cys
Pro Phe Gly Met
Pro Phe Met Gly
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Pro Met Gly Phe
Ser Ala His His
Ser Cys Glu Ile
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Ser Cys Ile Glu
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Ser Asp Met Val
Ser Asp Val Met
Ser Glu Cys Ile
Ser Glu Cys Leu
Ser Glu Ile Cys
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Ser His Ala His
Ser His His Ala
Ser Ile Cys Glu
Ser Ile Glu Cys
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Ser Leu Cys Glu
Ser Leu Glu Cys
Ser Met Asp Val
Ser Met Val Asp
Ser Asn Cys Lys
Ser Asn Lys Cys
Ser Val Asp Met
Ser Val Met Asp
Thr Ala Glu Met
Thr Ala Met Glu
Thr Cys Asp Ile
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Thr Cys Glu Val
Thr Cys Ile Asp
Thr Cys Leu Asp
Thr Cys Val Glu
Thr Asp Cys Ile
Thr Asp Cys Leu
Thr Asp Ile Cys
Thr Asp Leu Cys
Thr Glu Ala Met
Thr Glu Cys Val
Thr Glu Met Ala
Thr Glu Thr Thr
Thr Glu Val Cys
Thr Gly His His
Thr His Gly His
Thr His His Gly
Thr Ile Cys Asp
Thr Ile Asp Cys
Thr Leu Cys Asp
Thr Leu Asp Cys
Thr Met Ala Glu
Thr Met Glu Ala
Thr Thr Glu Thr
Thr Thr Thr Glu
Thr Val Cys Glu
Thr Val Glu Cys
Val Ala Met Met
Val Cys Glu Thr
Val Cys Met Val
Val Cys Thr Glu
Val Cys Val Met
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Val Asp Ser Met
Val Glu Cys Thr
Val Glu Thr Cys
Val Met Ala Met
Val Met Cys Val
Val Met Asp Ser
Val Met Met Ala
Val Met Ser Asp
Val Met Val Cys
Val Ser Asp Met
Val Ser Met Asp
Val Thr Cys Glu
Val Thr Glu Cys
Val Val Cys Met
Val Val Met Cys
Tyr Pro Gly Asp
2-trans,6-cis,10-trans-geranylgeranyl diphosphate
Arnamiol
Tiomesterone
C24H34O4S2 (450.18984040000004)
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
2,4,6-Trinitrophenol - 2-{2-[(dimethylamino)methyl]-3,4-dimethylphenyl}-2-propanol (1:1)
Leniolisib
C21H25F3N6O2 (450.19909859999996)
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
Timobesone acetate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
1-((1-(methylsulfonyl)piperidin-4-yl)methyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
(Z,2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-phosphonopent-3-enoic acid
Phosphono 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl hydrogen phosphate
methyl (E)-6-(3,7-dimethyl-2-oxo-1,3-benzoxazol-5-yl)-6-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)hex-5-enoate
(+)-(7R,7R,8S,8S)-4-hydroxy-3,3,4,5,5-pentamethoxy-7,7-epoxylignan-9,9-diol
A lignan isolated from the stems of Sinocalamus affinis.
methyl 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate
C24H26N4O5 (450.19031060000003)
N-[(2S,3R)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide
N-[(2R,3S)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylpyrazine-2-carboxamide
N-[(2R,3R)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylpyrazine-2-carboxamide
N-[(2S,3S)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide
N-[(2R,3S,6R)-6-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide
N-[(2S,3S,6S)-6-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide
(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-methylsulfonyl-N-propyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide
N-[(2S,3R,6R)-6-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide
N-[(2R,3R,6S)-6-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide
N-[(2R,3R,6R)-6-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide
N-[(2R,3S)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide
N-[(2S,3R)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide
N-[(2S,3S)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide
N-[(2R,3R)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide
(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-methylsulfonyl-N-propyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide
(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-methylsulfonyl-N-propyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide
(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-methylsulfonyl-N-propyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide
(2S)-N-[(3R,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyl-2-oxo-1-prop-2-enyl-5-spiro[indole-3,2-oxolane]yl]-2-hydroxypropanamide
C22H31FN2O5Si (450.19861679999997)
[(E)-5-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-enyl] phosphono hydrogen phosphate
4-[[2-ethoxy-4-[(Z)-(1-ethyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-6-prop-2-enylphenoxy]methyl]benzoic acid
[(E)-5-[(3aS,4R,5R,7aS)-4,5-dimethyl-7a-prop-1-en-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-yl]-3-methylpent-2-enyl] phosphono hydrogen phosphate
Acotiamide
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03F - Propulsives > A03FA - Propulsives D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D005765 - Gastrointestinal Agents D004791 - Enzyme Inhibitors
(2E)-3-methyl-5-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate
2-trans,6-trans,10-trans-Geranylgeranyl diphosphate
The all-trans-isomer of geranylgeranyl diphosphate.
(-)-Kolavenyl diphosphate
A diterpenyl phosphate that is the O-diphospho derivative of (-)-kolavenol
GSK2795039
GSK2795039 is a NADPH oxidase 2 (NOX2) inhibitor with a mean pIC50 of 6 in different cell-free assays. GSK2795039 inhibits reactive oxygen species (ROS) production and NADPH consumption[1]. GSK2795039 reduces apoptosis[2].
PD-168077 maleate
C24H26N4O5 (450.19031060000003)
PD-168077 maleate is a selective dopamine D4 receptor agonist, with a Ki of 9 nM.
(4s,6s,7s,10r)-7-(acetyloxy)-3-[(acetyloxy)methyl]-10-hydroxy-6,10-dimethyl-2-oxo-4h,5h,6h,7h,8h,9h-cyclodeca[b]furan-4-yl 2-methylprop-2-enoate
(3ar,4r,5r,6s,6as,7s,9ar,9br)-5,7-bis(acetyloxy)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-methylpropanoate
3-hydroxy-2-{[5-hydroxy-3-imino-2-methoxy-5-({[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}methyl)cyclohex-1-en-1-yl]amino}butanoic acid
C18H30N2O11 (450.18495099999996)
(1r,2e,8s,10r,11s)-6-[(acetyloxy)methyl]-11-ethoxy-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 2-methylprop-2-enoate
[(1s,2r,5r,6s,8r,10s,13s,14r)-2,13,14-trihydroxy-13-(hydroxymethyl)-10-methoxy-1-methyl-9,11-dioxatetracyclo[6.4.1.1⁶,¹⁰.0²,⁶]tetradecan-5-yl]methyl benzoate
[3,4,5-trihydroxy-6-({8-hydroxy-3,6,9-trimethylidene-2-oxo-octahydro-1h-cyclopenta[e]azulen-4-yl}oxy)oxan-2-yl]methyl formate
[hydroxy([(10e)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]oxy)phosphoryl]oxyphosphonic acid
9,10-dihydroxy-7-methoxy-3-(2,4,6,8-tetrahydroxynonyl)-3h,4h-naphtho[2,3-c]pyran-1-one
6-[(acetyloxy)methyl]-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 2-methylbut-2-enoate
2,3-epoxycalealactone a
{"Ingredient_id": "HBIN004091","Ingredient_name": "2,3-epoxycalealactone a","Alias": "NA","Ingredient_formula": "C23H30O9","Ingredient_Smile": "CC1CC2C(C(C(C(C(=O)C3C1O3)(C)O)OC(=O)C(C)C)OC(=O)C(=C)C)C(=C)C(=O)O2","Ingredient_weight": "450.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7059","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11155148","DrugBank_id": "NA"}
7-(acetyloxy)-3-[(acetyloxy)methyl]-10-hydroxy-6,10-dimethyl-2-oxo-4h,5h,6h,7h,8h,9h-cyclodeca[b]furan-4-yl 2-methylprop-2-enoate
2-hydroxy-n-(7-hydroxy-2,6-dimethyl-4,9-dioxo-8-pentyl-1,5-dioxonan-3-yl)-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
methyl (3as,4s,5s,11ar)-4-(acetyloxy)-10-(hydroxymethyl)-5-{[(2r)-2-methylbutanoyl]oxy}-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carboxylate
(1s,2e,8r,10r,11s)-6-[(acetyloxy)methyl]-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl (2e)-2-methylbut-2-enoate
(3as,4r,4as,5r,8r,8ar,9r,9as)-8,9-bis(acetyloxy)-5-hydroxy-5,8a-dimethyl-3-methylidene-2-oxo-octahydronaphtho[2,3-b]furan-4-yl 2-methylprop-2-enoate
[(2r,5r,6r,8r,10s,13s,14r)-2,13,14-trihydroxy-13-(hydroxymethyl)-10-methoxy-1-methyl-9,11-dioxatetracyclo[6.4.1.1⁶,¹⁰.0²,⁶]tetradecan-5-yl]methyl benzoate
methyl (1s,4s,4as,4br,8s,8as,9s,9as)-9-(acetyloxy)-1-(furan-3-yl)-4a,8a-dihydroxy-4,4b,8-trimethyl-3-oxo-hexahydro-1h-indeno[2,1-c]pyran-8-carboxylate
[(1s,2r,5r,6r,8r,10r,13s,14r)-2,13,14-trihydroxy-13-(hydroxymethyl)-10-methoxy-1-methyl-9,11-dioxatetracyclo[6.4.1.1⁶,¹⁰.0²,⁶]tetradecan-5-yl]methyl benzoate
5-{6-hydroxy-2,2-dimethylbenzo[h]chromen-5-yl}-2,2-dimethylbenzo[h]chromen-6-ol
2-hydroxy-n-[7-hydroxy-2,6-dimethyl-8-(3-methylbutyl)-4,9-dioxo-1,5-dioxonan-3-yl]-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
2-{[(3s)-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-10-yl]oxy}-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
2-({7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-10-yl}oxy)-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
methyl 5-(acetyloxy)-10-(hydroxymethyl)-4-[(2-methylbutanoyl)oxy]-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carboxylate
4-[(2s,3s,4s,5s)-3,4-dimethoxy-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]-2,6-dimethoxyphenol
2-hydroxy-n-[(2r,3s,6s,7r,8r)-7-hydroxy-2,6-dimethyl-4,9-dioxo-8-pentyl-1,5-dioxonan-3-yl]-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
(1s,2s,4r,7s,8r,10s)-7-(acetyloxy)-12-[(acetyloxy)methyl]-4,8-dimethyl-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-11-en-10-yl 2-methylprop-2-enoate
(1s,2s,4r,6r,7e,10s)-6-(acetyloxy)-12-[(acetyloxy)methyl]-4,8-dimethyl-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradeca-7,11-dien-10-yl 2-methylpropanoate
(1s,2e,8r,10r,11s)-6-[(acetyloxy)methyl]-11-ethoxy-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 2-methylprop-2-enoate
methyl (3ar,4s,5r,11as)-5-(acetyloxy)-10-(hydroxymethyl)-4-{[(2s)-2-methylbutanoyl]oxy}-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carboxylate
methyl (3as,4s,5s,11ar)-5-(acetyloxy)-10-(hydroxymethyl)-4-{[(2r)-2-methylbutanoyl]oxy}-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carboxylate
methyl (3ar,4r,11ar)-4-{[(2r,3s)-3-(acetyloxy)-2-hydroxy-2-methylbutanoyl]oxy}-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carboxylate
methyl (3ar,4r,11as)-4-{[(2r,3s)-3-(acetyloxy)-2-hydroxy-2-methylbutanoyl]oxy}-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carboxylate
[(2r,3s,4s,5r,6r)-6-{[(3ar,4s,6ar,8s,9ar,9br)-8-hydroxy-3,6,9-trimethylidene-2-oxo-octahydro-1h-cyclopenta[e]azulen-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl formate
(2r,4s,4ar,7as,7br)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1h,2h,4h,4ah,5h,7h,7ah-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
(3as,4r,5r,6s,6as,7r,9ar,9br)-5,7-bis(acetyloxy)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-methylpropanoate
8,9-bis(acetyloxy)-5-hydroxy-5,8a-dimethyl-3-methylidene-2-oxo-octahydronaphtho[2,3-b]furan-4-yl 2-methylprop-2-enoate
(1r,3r,4s,6s,8r,9r,10s,11s)-8-hydroxy-3,8-dimethyl-12-methylidene-9-[(2-methylpropanoyl)oxy]-7,13-dioxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]tetradecan-10-yl 2-methylprop-2-enoate
{[(2e)-5-[(1s,4ar,8as)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpent-2-en-1-yl]oxy(hydroxy)phosphoryl}oxyphosphonic acid
(6as)-9-acetyl-5-chloro-8-hydroxy-8-(3-hydroxybutan-2-yl)-6a-methyl-3-[(1e,3s)-3-methylpent-1-en-1-yl]-9h,9ah-furo[2,3-h]isochromen-6-one
(3ar,4r,4as,5r,8r,8ar,9s,9ar)-8,9-bis(acetyloxy)-5-hydroxy-5,8a-dimethyl-3-methylidene-2-oxo-octahydronaphtho[2,3-b]furan-4-yl 2-methylprop-2-enoate
6-[(acetyloxy)methyl]-11-ethoxy-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 2-methylprop-2-enoate
4-({hydroxy[4-methyl-2-(methylamino)-3-oxobenzo[f]1,7-naphthyridin-5-yl]methylidene}amino)-7-methyl-5-oxooct-6-enoic acid
C24H26N4O5 (450.19031060000003)
(1s,2r,4r,7s,8s,10s)-7-(acetyloxy)-12-[(acetyloxy)methyl]-4,8-dimethyl-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-11-en-10-yl 2-methylprop-2-enoate
(2e)-6-[(acetyloxy)methyl]-11-ethoxy-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 2-methylprop-2-enoate
5,7-bis(acetyloxy)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-methylpropanoate
(1r,2s,6r,7r,11r,12r,13r,14r)-13,14-bis(acetyloxy)-6-hydroxy-3,7,13-trimethyl-9-oxo-15-oxatetracyclo[10.2.1.0¹,⁵.0⁶,¹¹]pentadec-3-en-2-yl acetate
(3as,5r,6s,6as,7r,9ar,9br)-5,7-bis(acetyloxy)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-methylpropanoate
2-hydroxy-n-[(2r,3s,6s,7r,8r)-7-hydroxy-2,6-dimethyl-8-(3-methylbutyl)-4,9-dioxo-1,5-dioxonan-3-yl]-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
(4s)-4-({hydroxy[4-methyl-2-(methylamino)-3-oxobenzo[f]1,7-naphthyridin-5-yl]methylidene}amino)-7-methyl-5-oxooct-6-enoic acid
C24H26N4O5 (450.19031060000003)