Exact Mass: 446.194058
Exact Mass Matches: 446.194058
Found 500 metabolites which its exact mass value is equals to given mass value 446.194058
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Yangambin
Epiyangambin is a natural product found in Hernandia ovigera, Achillea holosericea, and other organisms with data available.
Estrone glucuronide
Estrone-glucuronide is the dominant metabolite of estradiol. Estrone glucuronide is formed by a UDP glucuronyltransferase (EC 2.4.1.17, UTP) reaction creating a much more water-soluble form of the hormone; glucuronides are the most abundant estrogen conjugates. Measurement of estrone-glucuronide is used as one reference method for determining ovulation (immunotubes are available for measuring urinary estrone glucuronide in conjunction with LH, one of the most advanced of ovulation prediction products). (PMID: 14742773, 1755456) [HMDB] Estrone-glucuronide is the dominant metabolite of estradiol. Estrone glucuronide is formed by a UDP glucuronyltransferase (EC 2.4.1.17, UTP) reaction creating a much more water-soluble form of the hormone; glucuronides are the most abundant estrogen conjugates. Measurement of estrone-glucuronide is used as one reference method for determining ovulation (immunotubes are available for measuring urinary estrone glucuronide in conjunction with LH, one of the most advanced of ovulation prediction products). (PMID: 14742773, 1755456). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8325
Cubebininolide
Cubebininolide is found in herbs and spices. Cubebininolide is a constituent of Piper cubeba (cubeb pepper). Constituent of Piper cubeba (cubeb pepper). Cubebininolide is found in herbs and spices.
5'-O-Methylmelledonal
5-O-Methylmelledonal is found in mushrooms. 5-O-Methylmelledonal is a metabolite of Armillaria mellea (honey mushroom Metabolite of Armillaria mellea (honey mushroom). 5-O-Methylmelledonal is found in mushrooms.
Methyl (2R,3R)-2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-oxidopyridin-1-ium-4-yl)benzoyl]amino]butanoate
C25H26N4O4 (446.19539560000004)
Yangabin
Yangambin is a lignan. Yangambin is a natural product found in Cassytha filiformis, Hernandia ovigera, and other organisms with data available.
Ochrocarpin G
A furanocoumarin that is 8,9-dihydro-2H-furo[2,3-h]chromen-2-one substituted by a hydroxy group at position 5, a 2-hydroxypropan-2-yl group at position 8, 2-methylbutanoyl group at position 6 and a (1R)-1-(acetyloxy)propyl group at position 4. Isolated from the bark of Ochrocarpos punctatus, it exhibits cytotoxicity against the A2780 ovarian cancer cell line.
[3aR-[3aalpha,4alpha(E),6beta,8alpha,8aalpha,9aalpha]]-6,8-bis(Acetyloxy)-2,3,3a,4,6,7,8,8a,9,9a-decahydro-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid
(S)-4-ethyl-4-hexanoyloxy-1,12-dihydro-4H-pyrano[3,4:6,7]indolizino[1,2-b]quinoline-3,14-dione|20-Hexanoyl-camptothecin|4(S)-ethyl-4-hexanoyl-1H-pyrano-[3,4:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione|O-hexanoyl-camptothecin
C26H26N2O5 (446.18416260000004)
Desaspidin
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02D - Anticestodals C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
rel-(7S,8R,1R,2R,3S,4S)-Delta8-4-acetoxy-2-hydroxy-3,3,5-trimethoxy-4,5-methylenedioxy-1,2,3,4-tetrahydro-7.3,8.1-neolignan
2-Hydroxy-3-[(4-hydroxy-2-methoxy-6-propylbenzoyl)oxy]-4-methoxy-6-pentylbenzoic acid
7-O-acetyldunnianin|rel-(1R,4aS,6S,7S,8S,8aS,9S)-6-(acetyloxy)-8-[(benzoyloxy)methyl]hexahydro-7,8a-dihydroxy-7,8,9-trimethyl-1,4a-ethano-4aH-2-benzopyran-3(4H)-one
(5S,8R,9S,10R)-2S,7R-diacetoxy-15,16-epoxy-12R-hydroxycleroda-3,13(16),14-trien-18,19-olide|salvigresin
O1-{4-[(1R,2S)-1-Aethyl-2-(4-hydroxy-phenyl)-butyl]-phenyl}-beta-D-glucopyranuronsaeure|O1-{4-[(1R,2S)-1-ethyl-2-(4-hydroxy-phenyl)-butyl]-phenyl}-beta-D-glucopyranuronic acid
9-O-Acetyl-(7R,8S,7R,8S)-(-)-fargesol|9-O-acetyl-(7S,8R,7S,8S)-(-)-fargesol
(4E)-2alpha,15-Diacetoxy-8beta-tigloyloxycostunolid
(3S,4aR,5S,6R,6aR,10aS,10bR)-5,6-bis(acetyloxy)-1,2,4a,5,6a,7a,10a,10b-octahydro-4a,6a,10b-trimethyl-7-methylenespiro[furan-3(2H),3-[3H]naphtho[2,1-b]pyran]-5,8(4H,6H)-dione|barbatellarine E
salvicin A|[(2S,3R,4R)-4-hydroxy-4-(4-hydroxy-3-methoxy-benzyl)-2-(4-hydroxy-3-methoxyphenyl)tetrahydro-3-furanyl]methyl butyrate
rel-(1R,4S,5R,7S,8R)-Delta2,8-4-acetoxy-4-hydroxy-3,5,3,5-tetramethoxy-6-oxo-8.1,7.5-neolignan
6-(2-(acetoxymethyl)-6-hydroxy-4-methylphenoxy)-2-methoxy-3-(1-methoxy-3-methylbutyl)benzoic acid|penikellide B
(7R,8R,8S)-7-(2,4,5-trimethoxyphenyl)-4,7alpha,8-trimethoxy-8,8-dimethyl-2,5-quinone
(1S,2S,3S,4S,5S,9R,10S,12S,13S)-1,12-acetoxy-2,3-hydroxy-6-oxopimara-7-(8),15-dien-18-oic acid 2,18-lactone|1,3-(epoxymethano)acetic acid 6-acetoxy-2-hydroxy-1,4a,7-trimethyl-10,12-dione-7-vinyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthren-4-yl ester|chenopodolin
5-[2-hydroxy-3-methyl-3-(propan-2-yloxy)butoxy]-9-[(2-hydroxy-3-methylbut-3-en-1-yl)oxy]-2H-furo[3,2-g]chromen-2-one|furanocoumarin|oncosepalin A
6-acetyl-6-benzoylhexahydro-8-hydroxy-8a-(1-hydroxy-1-methylethyl)-2,8-dimethyl-7-oxo-2H-cyclopent[b]oxepin-4-carboxylic acid|hypertricone
michaolide D
A cembrane diterpenoid with cytotoxic activity isolated from the soft coral Lobophytum michaelae.
caesalpinin D
A diterpenoid lactone isolated from the seed kernels of Caesalpinia crista that has been found to exhibit antimalarial activity.
erythro-2,3-Bis(4-acetoxy-3-methoxyphenyl)-3-ethoxypropan-1-ol acetate
6-aldehyde-1alpha,19-diacetoxy-6,7-seco-ent-kaur-16-en-15-one-7,20-olide|isodojaponin E
3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)-4-[[2,4,6-trihydroxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl]cyclohexa-2,4-dien-1-one
9beta-isovaleryloxyhelenalin-<2,3-epoxyisobutyrate>
1-(3,4-Dihydroxyphenyl)-7-(3-methoxy-4-hydroxyphenyl)-3,5-diacetoxyheptane
(3beta)-3-(acetyloxy)-14-O-benzoyl-10-deoxyfloridanolide|rel-(4R,5R,6R,6aR,7S,9R,9aR)-7-(acetyloxy)-6-[(benzoyloxy)methyl]-hexahydro-5,6a-dihydroxy-5,6,9-trimethyl-4H-4,9a-methanocyclopent[d]oxocin-2(1H)-one
2,3-Bis(4-hydroxy-3-methoxybenzyl)butane-1,4-diol 1,4-diacetate
7-nitro-10-octyl-3-phenyl-pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
C25H26N4O4 (446.19539560000004)
9-O-Acetyl-fargesol
9-O-Acetyl-fargesol is a natural product found in Magnolia kobus and Magnolia praecocissima with data available.
Methylpseudolarate B
Estrone-3-(beta-D-glucuronide) - CASMI2016 Category 1 - Challenge 15
3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
C24H30O8_Dispiro[furan-3(2H),1(5H)-naphthalene-5,2-oxiran]-4(6H)-one, 2-(acetyloxy)-4a-[(acetyloxy)methyl]-5-(3-furanyl)octahydro-2-methyl-, (2S,2R,3R,4aS,5S,5R,8aR)
3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan [IIN-based: Match]
3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan [IIN-based on: CCMSLIB00000848284]
Ala Asp Glu Ile
Ala Asp Glu Leu
Ala Asp Ile Glu
Ala Asp Leu Glu
Ala Glu Asp Ile
Ala Glu Asp Leu
Ala Glu Glu Val
Ala Glu Ile Asp
Ala Glu Leu Asp
Ala Glu Val Glu
Ala Gly His Tyr
Ala Gly Asn Trp
Ala Gly Trp Asn
Ala Gly Tyr His
Ala His Gly Tyr
Ala His Tyr Gly
Ala Ile Asp Glu
Ala Ile Glu Asp
Ala Leu Asp Glu
Ala Leu Glu Asp
Ala Asn Gly Trp
Ala Asn Trp Gly
Ala Val Glu Glu
Ala Trp Gly Asn
Ala Trp Asn Gly
Ala Tyr Gly His
Ala Tyr His Gly
Asp Ala Glu Ile
Asp Ala Glu Leu
Asp Ala Ile Glu
Asp Ala Leu Glu
Asp Asp Val Val
Asp Glu Ala Ile
Asp Glu Ala Leu
Asp Glu Ile Ala
Asp Glu Leu Ala
Asp Ile Ala Glu
Asp Ile Glu Ala
Asp Leu Ala Glu
Asp Leu Glu Ala
Asp Val Asp Val
Asp Val Val Asp
Glu Ala Asp Ile
Glu Ala Asp Leu
Glu Ala Glu Val
Glu Ala Ile Asp
Glu Ala Leu Asp
Glu Ala Val Glu
Glu Asp Ala Ile
Glu Asp Ala Leu
Glu Asp Ile Ala
Glu Asp Leu Ala
Glu Glu Ala Val
Glu Glu Gly Ile
Glu Glu Gly Leu
Glu Glu Ile Gly
Glu Glu Leu Gly
Glu Glu Val Ala
Glu Gly Glu Ile
Glu Gly Glu Leu
Glu Gly Ile Glu
Glu Gly Leu Glu
Glu Ile Ala Asp
Glu Ile Asp Ala
Glu Ile Glu Gly
Glu Ile Gly Glu
Glu Leu Ala Asp
Glu Leu Asp Ala
Glu Leu Glu Gly
Glu Leu Gly Glu
Glu Pro Thr Thr
Glu Thr Pro Thr
Glu Thr Thr Pro
Glu Val Ala Glu
Glu Val Glu Ala
Phe Gly His Ser
Phe Gly Ser His
Phe His Gly Ser
Phe His Ser Gly
Phe Ser Gly His
Phe Ser His Gly
Gly Ala His Tyr
Gly Ala Asn Trp
Gly Ala Trp Asn
Gly Ala Tyr His
Gly Glu Glu Ile
Gly Glu Glu Leu
Gly Glu Ile Glu
Gly Glu Leu Glu
Gly Phe His Ser
Gly Phe Ser His
Gly Gly Gln Trp
Gly Gly Trp Gln
Gly His Ala Tyr
Gly His Phe Ser
Gly His His Pro
Gly His Pro His
Gly His Ser Phe
Gly His Tyr Ala
Gly Ile Glu Glu
Gly Leu Glu Glu
Gly Asn Ala Trp
Gly Asn Trp Ala
Gly Pro His His
Gly Gln Gly Trp
Gly Gln Trp Gly
Gly Ser Phe His
Gly Ser His Phe
Gly Trp Ala Asn
Gly Trp Gly Gln
Gly Trp Asn Ala
Gly Trp Gln Gly
Gly Tyr Ala His
Gly Tyr His Ala
His Ala Gly Tyr
His Ala Tyr Gly
His Phe Gly Ser
His Phe Ser Gly
His Gly Ala Tyr
His Gly Phe Ser
His Gly His Pro
His Gly Pro His
His Gly Ser Phe
His Gly Tyr Ala
His His Gly Pro
His His Pro Gly
His Pro Gly His
His Pro His Gly
His Ser Phe Gly
His Ser Gly Phe
His Tyr Ala Gly
His Tyr Gly Ala
Ile Ala Asp Glu
Ile Ala Glu Asp
Ile Asp Ala Glu
Ile Asp Glu Ala
Ile Glu Ala Asp
Ile Glu Asp Ala
Ile Glu Glu Gly
Ile Glu Gly Glu
Ile Gly Glu Glu
Leu Ala Asp Glu
Leu Ala Glu Asp
Leu Asp Ala Glu
Leu Asp Glu Ala
Leu Glu Ala Asp
Leu Glu Asp Ala
Leu Glu Glu Gly
Leu Glu Gly Glu
Leu Gly Glu Glu
Asn Ala Gly Trp
Asn Ala Trp Gly
Asn Gly Ala Trp
Asn Gly Trp Ala
Asn Trp Ala Gly
Asn Trp Gly Ala
Pro Glu Thr Thr
Pro Gly His His
Pro His Gly His
Pro His His Gly
Pro Thr Glu Thr
Pro Thr Thr Glu
Gln Gly Gly Trp
Gln Gly Trp Gly
Gln Trp Gly Gly
Ser Phe Gly His
Ser Phe His Gly
Ser Gly Phe His
Ser Gly His Phe
Ser His Phe Gly
Ser His Gly Phe
Thr Glu Pro Thr
Thr Glu Thr Pro
Thr Pro Glu Thr
Thr Pro Thr Glu
Thr Thr Glu Pro
Thr Thr Pro Glu
Val Ala Glu Glu
Val Asp Asp Val
Val Asp Val Asp
Val Glu Ala Glu
Val Glu Cys Pro
Val Glu Glu Ala
Val Glu Pro Cys
Val Pro Cys Glu
Val Pro Glu Cys
Val Val Asp Asp
Trp Ala Gly Asn
Trp Ala Asn Gly
Trp Gly Ala Asn
Trp Gly Gly Gln
Trp Gly Asn Ala
Trp Gly Gln Gly
Trp Asn Ala Gly
Trp Asn Gly Ala
Trp Gln Gly Gly
Tyr Ala Gly His
Tyr Ala His Gly
Tyr Gly Ala His
Tyr Gly His Ala
Tyr His Ala Gly
Tyr His Gly Ala
CAY10625
C25H26N4O4 (446.19539560000004)
Estrone glucuronide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones The 3-beta-D-glucuronide of estrone.
5'-O-Methylmelledonal
Ptilosteroid A
C21H34O8S (446.19742840000004)
Otamixaban
C25H26N4O4 (446.19539560000004)
C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent > C173067 - Direct Factor Xa Inhibitor D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors D006401 - Hematologic Agents > D000925 - Anticoagulants > D000991 - Antithrombins COVID info from Guide to PHARMACOLOGY Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(3R,3aS,4S,4aS,7R,9aR)-3-Methyl-7-nitro-1-oxo-N,N-diphenyl-1,3,3a,4,4a,5,6,7,8,9a-decahydronaphtho[2,3-c]furan-4-carboxamide
C26H26N2O5 (446.18416260000004)
(2E)-(R)-5-(diphenylamino)-5-oxopent-3-en-2-y13-(5-nitrocyclohex-1-en-1-y1)acylate
C26H26N2O5 (446.18416260000004)
1,2,5,6-Tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-amine sulfate
C22H30N4O4S (446.19876600000003)
1,4-Bis(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan
N-(4-ethoxyphenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide
SF 11 is a potent and brain penetrant neuropeptide Y Y2 receptor antagonist (IC50=199 nM). Antidepressant-like activity[1][2].
(1s,2r)-2-{[(1s)-1-[(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)methyl]-3,4-Dihydroisoquinolin-2(1h)-Yl]carbonyl}cyclohexanecarboxylic Acid
C26H26N2O5 (446.18416260000004)
Ochrocarpin F
A furanocoumarin that is 8,9-dihydro-2H-furo[2,3-h]chromen-2-one substituted by a hydroxy group at position 5, a 2-hydroxypropan-2-yl group at position 8, 2-methylbutanoyl group at position 6 and a (1S)-1-(acetyloxy)propyl group at position 4. Isolated from the bark of Ochrocarpos punctatus, it exhibits cytotoxicity against the A2780 ovarian cancer cell line.
(1R,2S)-2-[[(1S)-1-[(1,3-dioxo-2-isoindolyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]-1-cyclohexanecarboxylic acid
C26H26N2O5 (446.18416260000004)
2-(5,8-dimethyl-2,4-dioxo-3-phenyl-1-pyrimido[5,4-b]indolyl)-N-(2-oxolanylmethyl)acetamide
C25H26N4O4 (446.19539560000004)
4-[[1-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester
C22H30N4O4S (446.19876600000003)
(1S,5R)-3-{[(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
C26H26N2O5 (446.18416260000004)
(6R,7S,8R)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C26H26N2O5 (446.18416260000004)
(6S,7R,8S)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C26H26N2O5 (446.18416260000004)
(6S,7S,8S)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C26H26N2O5 (446.18416260000004)
(6R,7S,8S)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C26H26N2O5 (446.18416260000004)
(6R,7R,8R)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C26H26N2O5 (446.18416260000004)
(6R,7R,8S)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C26H26N2O5 (446.18416260000004)
(6S,7S,8R)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C26H26N2O5 (446.18416260000004)
(6S,7R,8R)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C26H26N2O5 (446.18416260000004)
3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)-4-{[2,4,6-trihydroxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl}cyclohexa-2,4-dien-1-one
(3as,4s,4ar,7as,8s,9r,9as)-4a,8-dimethyl-9-[(3-methylbutanoyl)oxy]-3-methylidene-2,5-dioxo-3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-4-yl (2s)-2-methyloxirane-2-carboxylate
(3r,4r)-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
2-butanoyl-4-[(2,6-dihydroxy-3,3-dimethyl-4-oxo-5-propanoylcyclohexa-1,5-dien-1-yl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
(3ar,4r,9s,9ar)-6,7,8-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1h,3h,3ah,4h,9h,9ah-naphtho[2,3-c]furan-4-ol
3-chloro-2-(3,7-dimethylocta-2,6-dien-1-yl)-2,5,7-trihydroxy-3-(3-methylbut-2-en-1-yl)naphthalene-1,4-dione
8-(acetyloxy)-7-ethenyl-16-hydroxy-1,7,11-trimethyl-3,15-dioxo-14-oxatetracyclo[11.2.1.0²,¹¹.0⁵,¹⁰]hexadec-4-en-12-yl acetate
(2r,3r,4s,5s,6r)-2-[(7-hydroxy-2-methoxy-1,8-dimethyl-9,10-dihydrophenanthren-4-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(4ar,4br,7r,8ar,9r,10ar)-3-(acetyloxy)-7-ethenyl-8a-hydroxy-1,1,4a,7-tetramethyl-2,5,8-trioxo-6,9,10,10a-tetrahydro-4bh-phenanthren-9-yl acetate
(1s,2r,3'r,4'bs,8'ar,9's,10's)-3'-(acetyloxy)-10'-hydroxy-2,4'b,8',8'-tetramethyl-1',4',7'-trioxo-3',5',6',8'a,9',10'-hexahydrospiro[cyclopropane-1,2'-phenanthren]-9'-yl acetate
6,7,8-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1h,3h,3ah,4h,9h,9ah-naphtho[2,3-c]furan-4-ol
(2r,4'as,5'r,5''s,6'r,8'r,8'ar)-8'-(acetyloxy)-5''-(furan-3-yl)-6'-methyl-2''-oxo-hexahydro-2'h-dispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'a-ylmethyl acetate
methyl (1r,7s,8s,9s)-7-(acetyloxy)-9-[(1e,3e)-5-methoxy-4-methyl-5-oxopenta-1,3-dien-1-yl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0¹,⁷]tridec-3-ene-4-carboxylate
2-butanoyl-6-[(3-butanoyl-2,6-dihydroxy-4-methoxyphenyl)methyl]-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one
6-(acetyloxy)-2-formyl-3-methyl-10'-methylidene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0¹,⁶]dodecan]-3-ylmethyl acetate
(1r,3ar,4s,6ar)-1,4-bis(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan
methyl 3-[(1s)-1-(acetyloxy)-3-methylbutyl]-6-[2-hydroxy-6-(hydroxymethyl)-4-methylphenoxy]-2-methoxybenzoate
4-[(1s,3ar,4r,6as)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3a,6a-dimethyl-tetrahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenol
(1s,9s,15r,16r,17s)-4,5,6,9,10,11-hexamethoxy-15,16-dimethyl-8-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,10,13-pentaen-12-one
(1s,2r,5s,6r,8r,9s,10r,11s,12s)-9-(acetyloxy)-12-hydroxy-2,5,6,12-tetramethyl-3-oxo-7,16-dioxapentacyclo[9.7.0.0²,⁸.0⁶,⁸.0¹³,¹⁷]octadeca-13(17),14-dien-10-yl acetate
4,5,6,9,10,11-hexamethoxy-15,16-dimethyl-8-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,10,13-pentaen-12-one
16-acetoxycoleon u 11-acetate
{"Ingredient_id": "HBIN001783","Ingredient_name": "16-acetoxycoleon u 11-acetate","Alias": "NA","Ingredient_formula": "C24H30O8","Ingredient_Smile": "CC(COC(=O)C)C1=C(C2=C(C(=C1O)OC(=O)C)C3(CCCC(C3=C(C2=O)O)(C)C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "146","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-acetyl-teucjaponin b
{"Ingredient_id": "HBIN012175","Ingredient_name": "6-acetyl-teucjaponin b","Alias": "NA","Ingredient_formula": "C24H30O8","Ingredient_Smile": "CC1CC(C2(C(C13CC(OC3=O)C4=COC=C4)CCCC25CO5)COC(=O)C)OC(=O)C","Ingredient_weight": "446.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "524","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "3036767","DrugBank_id": "NA"}
9'-o-acetyl-(7r,8s,7r,8s)-(?)-fargesol
{"Ingredient_id": "HBIN014148","Ingredient_name": "9'-o-acetyl-(7r,8s,7r,8s)-(?)-fargesol","Alias": "NA","Ingredient_formula": "C24H30O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "394","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
albaspidin pb
{"Ingredient_id": "HBIN015070","Ingredient_name": "albaspidin pb","Alias": "NA","Ingredient_formula": "C24H30O8","Ingredient_Smile": "CCCC(=O)C1C(=O)C(C(=O)C(C1=O)(C)C)CC2C(=O)C(C(=O)C(C2=O)(C)C)C(=O)CC","Ingredient_weight": "446.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "853","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "91936206","DrugBank_id": "NA"}
barbatusin
{"Ingredient_id": "HBIN017595","Ingredient_name": "barbatusin","Alias": "NA","Ingredient_formula": "C24H30O8","Ingredient_Smile": "CC1CC12C(C(=O)C3=C(C2=O)C(C(C4C3(CCC(=O)C4(C)C)C)OC(=O)C)O)OC(=O)C","Ingredient_weight": "446.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6426;21736","PubChem_id": "71676379","DrugBank_id": "NA"}
[(1r,2r,3s,3as,3br,5ar,6r,7r,8s,9ar,9bs,11as)-1-ethenyl-2,3,6,7-tetrahydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-8-yl]oxidanesulfonic acid
C21H34O8S (446.19742840000004)
4-(acetyloxy)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butyl acetate
(2s,3r)-3-chloro-2-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-2,5,7-trihydroxy-3-(3-methylbut-2-en-1-yl)naphthalene-1,4-dione
[(2s,3r,4s)-2-(3,4-dimethoxyphenyl)-4-[(s)-(3,4-dimethoxyphenyl)(hydroxy)methyl]oxolan-3-yl]methyl acetate
(2r,4'as,5'r,5''r,6'r,8's,8'ar)-8'-(acetyloxy)-5''-(furan-3-yl)-6'-methyl-2''-oxo-hexahydro-2'h-dispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'a-ylmethyl acetate
1,7-bis(4-hydroxyphenyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]heptan-3-one
(1r,4s,7s,10s,19s)-4-(1h-indol-3-ylmethyl)-9,9-dimethyl-6,15,17-trioxa-3-azapentacyclo[11.5.1.0¹,¹⁰.0²,⁷.0¹⁶,¹⁹]nonadeca-2,12-diene-5,18-dione
C26H26N2O5 (446.18416260000004)
(2s,3r)-4-(acetyloxy)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butyl acetate
4-[4-(4-hydroxy-3,5-dimethoxyphenyl)-3a,6a-dimethyl-tetrahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenol
(3ar,4s,5r,6r,10s,11ar)-6-hydroxy-6,10-dimethyl-3-methylidene-4-[(2-methylprop-2-enoyl)oxy]-2,7-dioxo-3ah,4h,5h,10h,11h,11ah-cyclodeca[b]furan-5-yl (2z)-2-methylbut-2-enoate
6-hydroxy-3-[5-hydroxy-2-(methoxycarbonyl)-3-propylphenoxy]-4-methoxy-2-pentylbenzoic acid
(3s,4s)-4-[bis(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one
3-(acetyloxy)-5'-(furan-3-yl)-5-methyl-2'-oxo-octahydrospiro[naphtho[1,8a-b]oxete-6,3'-oxolan]-9a-ylmethyl acetate
(3ar,4r,9s,11ar)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2e)-4-(acetyloxy)-2-methylbut-2-enoate
4-[bis(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one
4-(acetyloxy)-5,13-dihydroxy-2,6,13-trimethyl-9-oxo-8-oxatricyclo[4.4.3.0¹,⁵]tridecan-12-yl benzoate
methyl (1s,2r,3r,4r,8r,9s,10r,15r)-2-hydroxy-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-7,13-dioxo-16-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-5,11-diene-4-carboxylate
(5s)-1,7-bis(4-hydroxyphenyl)-5-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}heptan-3-one
(2s,4s,5as,6s,8r,8as)-6-acetyl-6-benzoyl-8-hydroxy-8a-(2-hydroxypropan-2-yl)-2,8-dimethyl-7-oxo-tetrahydro-2h-cyclopenta[b]oxepine-4-carboxylic acid
(3s,4ar,5s,6r,6ar,10as,10br)-5-(acetyloxy)-4a,6a,10b-trimethyl-7-methylidene-5',8-dioxo-2,5,6,10a-tetrahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl acetate
19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl hexanoate
C26H26N2O5 (446.18416260000004)
11'-(acetyloxy)-7'-(furan-3-yl)-3'-hydroxy-1',9',10'-trimethyl-6'-oxaspiro[oxirane-2,2'-tricyclo[7.3.1.0⁵,¹³]tridecan]-7'-en-12'-yl acetate
8'-(acetyloxy)-5''-(furan-3-yl)-6'-methyl-2''-oxo-hexahydro-2'h-dispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'a-ylmethyl acetate
(1r,3ar,4r,6ar)-1,4-bis(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan
4-hydroxy-3-(2-hydroxy-4-methoxy-6-propylbenzoyloxy)-2-methoxy-6-pentylbenzoic acid
(1's,2r,3's,5'r,9'r,10's,11'r,12'r,13'r)-11'-(acetyloxy)-7'-(furan-3-yl)-3'-hydroxy-1',9',10'-trimethyl-6'-oxaspiro[oxirane-2,2'-tricyclo[7.3.1.0⁵,¹³]tridecan]-7'-en-12'-yl acetate
(1s,3s,4r,5s)-4,5-dimethyl-1,3-bis(3,4,5-trimethoxyphenyl)-2,6-dioxabicyclo[3.1.0]hexane
(2r,2''s,4'ar,5'r,5''s,6'r,8'as)-2''-(acetyloxy)-5''-(furan-3-yl)-6'-methyl-8'-oxo-hexahydrodispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'a-ylmethyl acetate
(6ar,8s,9s,9as)-9-acetyl-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dien-1-yl]-8-methoxy-6a,8-dimethyl-9h,9ah-furo[2,3-h]isochromen-6-one
(3ar,4s,9s,9ar)-6,7,8-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1h,3h,3ah,4h,9h,9ah-naphtho[2,3-c]furan-4-ol
3-(acetyloxy)-7-ethenyl-8a-hydroxy-1,1,4a,7-tetramethyl-2,5,8-trioxo-6,9,10,10a-tetrahydro-4bh-phenanthren-9-yl acetate
(2r,4'as,5'r,5''s,6'r,8's,8'ar)-8'-(acetyloxy)-5''-(furan-3-yl)-6'-methyl-2''-oxo-hexahydro-2'h-dispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'a-ylmethyl acetate
3'-(acetyloxy)-10'-hydroxy-2,4'b,8',8'-tetramethyl-1',4',7'-trioxo-3',5',6',8'a,9',10'-hexahydrospiro[cyclopropane-1,2'-phenanthren]-9'-yl acetate
(5s)-7-(3-hydroxyphenyl)-1-(4-hydroxyphenyl)-5-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}heptan-3-one
2-[(7-hydroxy-2-methoxy-1,8-dimethyl-9,10-dihydrophenanthren-4-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,4'as,5'r,5''s,6'r,8'r,8'ar)-8'-(acetyloxy)-5''-(furan-2-yl)-6'-methyl-2''-oxo-hexahydro-2'h-dispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'a-ylmethyl acetate
(6ar,8r,9s,9as)-9-acetyl-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dien-1-yl]-8-methoxy-6a,8-dimethyl-9h,9ah-furo[2,3-h]isochromen-6-one
2-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-4,4-dimethyl-6-propanoylcyclohexa-2,5-dien-1-one
4-(1h-indol-3-ylmethyl)-9,9-dimethyl-6,15,17-trioxa-3-azapentacyclo[11.5.1.0¹,¹⁰.0²,⁷.0¹⁶,¹⁹]nonadeca-2,12-diene-5,18-dione
C26H26N2O5 (446.18416260000004)
methyl 3-[1-(acetyloxy)-3-methylbutyl]-6-[2-hydroxy-6-(hydroxymethyl)-4-methylphenoxy]-2-methoxybenzoate
9-acetyl-5-chloro-3-(3,5-dimethylhepta-1,3-dien-1-yl)-8-methoxy-6a,8-dimethyl-9h,9ah-furo[2,3-h]isochromen-6-one
(1s,3ar,9s,9ar)-6,7,8-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1h,3h,3ah,4h,9h,9ah-naphtho[2,3-c]furan-1-ol
4-butanoyl-6-[(3-butanoyl-5-methyl-2,4,6-trioxocyclohexyl)methyl]-2,2-dimethylcyclohexane-1,3,5-trione
(1's,3r,3as,4r,6's,7s,7ar,9'r)-7-(acetyloxy)-7a-methyl-10'-methylidene-2',11'-dioxo-hexahydro-3'-oxaspiro[2-benzofuran-4,5'-tricyclo[7.2.1.0¹,⁶]dodecan]-3-yl acetate
4-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethyl-2-propanoylcyclohexa-2,4-dien-1-one
(3ar,4r,8r,11ar)-8-(acetyloxy)-10-[(acetyloxy)methyl]-6-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2e)-2-methylbut-2-enoate
8-(acetyloxy)-5,6-dimethyl-4-oxo-5-[2-(5-oxo-2h-furan-3-yl)ethyl]-4a,6,7,8-tetrahydrospiro[naphthalene-1,2'-oxiran]-8a-ylmethyl acetate
[(1r,2r,3s,3as,3br,5ar,6r,7r,8s,9ar,9bs,11ar)-1-ethenyl-2,3,6,7-tetrahydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-8-yl]oxidanesulfonic acid
C21H34O8S (446.19742840000004)
(3r,5s)-5-(acetyloxy)-7-(3,4-dihydroxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)heptan-3-yl acetate
[2-(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)(hydroxy)methyl]oxolan-3-yl]methyl acetate
(1r,4ar,5s,6r,8s,8ar)-8-(acetyloxy)-5,6-dimethyl-4-oxo-5-[2-(5-oxo-2h-furan-3-yl)ethyl]-4a,6,7,8-tetrahydrospiro[naphthalene-1,2'-oxiran]-8a-ylmethyl acetate
7-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethoxy-6-methyl-8-oxo-5-(prop-2-en-1-yl)bicyclo[3.2.1]oct-3-en-2-yl acetate
(3ar,4r,8r,11ar)-8-(acetyloxy)-10-[(acetyloxy)methyl]-6-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2z)-2-methylbut-2-enoate
1-{3-[(3-butanoyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxyphenyl}butan-1-one
2-butanoyl-6-[(2,4-dihydroxy-3,3-dimethyl-6-oxo-5-propanoylcyclohexa-1,4-dien-1-yl)methyl]-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one
(3r,4r)-4-[(7-ethoxy-2h-1,3-benzodioxol-5-yl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-ol
5-(acetyloxy)-4,8,12-trimethyl-16-methylidene-9,17-dioxo-3,18-dioxatricyclo[13.3.0.0²,⁴]octadeca-7,11-dien-14-yl acetate
(19s)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl hexanoate
C26H26N2O5 (446.18416260000004)