Exact Mass: 298.1641
Exact Mass Matches: 298.1641
Found 308 metabolites which its exact mass value is equals to given mass value 298.1641,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Fumigaclavine A
Fumigaclavine A is an alkaloid from Aspergillus fumigatu Fumigaclavine A. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=6879-59-0 (retrieved 2024-08-26) (CAS RN: 6879-59-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
8-Geranylumbelliferone
A member of the class of hydroxycoumarins that is umbelliferone in which the ring hydrogen at position 8 has been replaced by a geranyl group.
Auraptene
Auraptene is a member of the class of coumarins that is umbelliferone in which the phenolic hydrogen has been replaced by a geranyl group. Ii is isolated from several edible fruits and vegetables and exhibits a variety of therapeutic properties. It has a role as a plant metabolite, an antineoplastic agent, an apoptosis inducer, a dopaminergic agent, a neuroprotective agent, an antihypertensive agent, a gamma-secretase modulator, a vulnerary, an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor, a PPARalpha agonist, a gastrointestinal drug, a matrix metalloproteinase inhibitor, an antioxidant and a hepatoprotective agent. It is a member of coumarins and a monoterpenoid. It is functionally related to an umbelliferone. Auraptene is a natural product found in Clausena anisum-olens, Geijera parviflora, and other organisms with data available. Auraptene is found in citrus. Auraptene is isolated from Citrus aurantium (Seville orange) and bael fruit (Aegle marmelos) Auraptene is a natural bioactive monoterpene coumarin ether. It was first isolated from members of the genus Citrus. Auraptene has shown a remarkable effect in the prevention of degenerative diseases. Many studies have reported the effect of auraptene as a chemopreventative agent against cancers of liver, skin, tongue, esophagus, and colon in rodent models. The effect in humans is not yet known A member of the class of coumarins that is umbelliferone in which the phenolic hydrogen has been replaced by a geranyl group. Ii is isolated from several edible fruits and vegetables and exhibits a variety of therapeutic properties. Isolated from Citrus aurantium (Seville orange) and bael fruit (Aegle marmelos) Auraptene is the most abundant naturally occurring geranyloxycoumarin. Auraptene decreases the secretion of matrix metalloproteinase 2 (MMP-2) as well as key inflammatory mediators, including IL-6, IL-8, and chemokine (C-C motif) ligand-5(CCL5)[1]. Auraptene is the most abundant naturally occurring geranyloxycoumarin. Auraptene decreases the secretion of matrix metalloproteinase 2 (MMP-2) as well as key inflammatory mediators, including IL-6, IL-8, and chemokine (C-C motif) ligand-5(CCL5)[1].
Olomoucine
Olomoucine is found in root vegetables. Olomoucine is a constituent of the cotyledons of radish D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins Constituent of the cotyledons of radish. Olomoucine is found in root vegetables. D004791 - Enzyme Inhibitors
Gravelliferone
Gravelliferone is found in herbs and spices. Gravelliferone is isolated from Ruta graveolens (rue
5-Hydroxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone
5-Hydroxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone is found in herbs and spices. 5-Hydroxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone is from Alpinia officinarum (lesser galangal). From Alpinia officinarum (lesser galangal). 5-Hydroxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone is found in herbs and spices.
4-(3-Hydroxy-7-phenyl-6-heptenyl)-1,2-benzenediol
4-(3-Hydroxy-7-phenyl-6-heptenyl)-1,2-benzenediol is found in beverages. 4-(3-Hydroxy-7-phenyl-6-heptenyl)-1,2-benzenediol is a constituent of the rhizomes of Curcuma xanthorrhiza (Java turmeric). Constituent of the rhizomes of Curcuma xanthorrhiza (Java turmeric). 4-(3-Hydroxy-7-phenyl-6-heptenyl)-1,2-benzenediol is found in herbs and spices and beverages.
2,9-Dimethyl-2,9-diazatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene-3,10-diol, 9CI
2,9-Dimethyl-2,9-diazatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene-3,10-diol, 9CI is found in citrus. 2,9-Dimethyl-2,9-diazatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene-3,10-diol, 9CI is an alkaloid from peelings of Citrus unshiu (satsuma mandarin). Alkaloid from peelings of Citrus unshiu (satsuma mandarin). 2,9-Dimethyl-2,9-diazatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene-3,10-diol, 9CI is found in citrus.
7-(3,7-Dimethylocta-2,6-dienoxy)-1-benzopyran-2-one
Carazolol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists Carazolol is a β1/β2 adrenoceptor antagonist of high potency used in the research of hypertension. Carazolol is also a potent, selective β3-adrenoceptor agonist[1].
Nvp dpp 728 dihydrochloride
4-(3-Methyl-2-butenyl)-5-(2-phenylethyl)benzene-1,2,3-triol
N,alpha,N,alpha-Cyclodi(4-methylaminobenzeneethanol)
2-(2,3-Epoxy-1,3-heptadienyl)-6-hydroxy-5-(3-methyl-2-butenyl)benzaldehyde
Carazolol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists Carazolol is a β1/β2 adrenoceptor antagonist of high potency used in the research of hypertension. Carazolol is also a potent, selective β3-adrenoceptor agonist[1].
C10-LAS (TENTATIVE)
TENTATIVELY IDENTIFIED SPECTRUM ONLY!!!!!!!!!; Extracted (without noise removal) from BIO_N: mz297_15_rt18_07_HCD60_C10-LAS; CONFIDENCE Tentative identification: isomers possible (Level 3)
4-[6-[2-(4-Hydroxyphenyl)ethyl]-3,4,5,6-tetrahydro-2H-pyran-2-yl]phenol
7-Hydroxy-6-(1-ethenyl-1,5-dimethyl-4-hexenyl)-2H-1-benzopyran-2-one
6,9-Dimethyl-7-O-acetylergolin|9alpha-acetoxy-6,8beta-dimethyl-ergoline|Roquefortin A|roquefortine-A
aurapten
Auraptene is the most abundant naturally occurring geranyloxycoumarin. Auraptene decreases the secretion of matrix metalloproteinase 2 (MMP-2) as well as key inflammatory mediators, including IL-6, IL-8, and chemokine (C-C motif) ligand-5(CCL5)[1]. Auraptene is the most abundant naturally occurring geranyloxycoumarin. Auraptene decreases the secretion of matrix metalloproteinase 2 (MMP-2) as well as key inflammatory mediators, including IL-6, IL-8, and chemokine (C-C motif) ligand-5(CCL5)[1].
4-(2-Hydroxy-3-methyl-3-butenyl)-5-phenethylresorcinol
12-senecioyloxytetradeca-2E,8E,10E-trien-4,6-diyne-1-ol
14-senecioyloxytetradeca-2E,8Z,10E-trien-4,6-diyne-1-ol|atractylodemayne A
trans-2,5-bis<(p-hydroxyphenyl)methyl>piperazine|trans-2,5-bis[(p-hydroxyphenyl)methyl]piperazine
(3S,4S)-4,10-dimethoxy-8-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-1H-benzo[h]isochromene|cichorin B
1-Me ether-9,10-Dihydro-2,6-dihydroxy-5-(1-hydroxyethyl)-1,7-dimethylphenanthrene|5-(1-Methoxyethyl)-2,6-dihydroxy-1,7-dimethyl-9,10-dihydrophenanthrene
4-<2-hydroxy-2-(2-methoxy-5-(E)-propenylphenyl)propyl>phenol|4-[2-hydroxy-2-(2-methoxy-5-(E)-propenylphenyl)propyl]phenol
4-(3,3-Dimethyloxiranylmethyl)-5-(2-phenylethyl)benzene-1,3-diol
7-hydroxy-6-(2,4,4-trimethylcyclohex-1-enylmethyl)coumarin
8-(3,3-dimethylallyl)-7-(3,3-dimethylallyloxy)coumarin
(E)-3-[2,3-dihydro-2-(1-methylethenyl)-7-prenyl-5-benzofuranyl]-2-propenoic acid
(E)-N-[4-(3-methyl-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-butyl]-3-phenyl-2-propenamide|aglairubine
3-Phenylpropanoic acid 2-hydroxy-2-(4-methylphenyl)propyl ester
7-Hydroxy-8-(7-methyl-3-methylen-oct-6-enyl)-cumarin, Peumorisin|7-Hydroxy-8-<7-methyl-3-methylen-oct-6-enyl>-cumarin, Peumorisin
NeocryptotanshinoneII
Deoxyneocryptotanshinone is a natural product found in Salvia miltiorrhiza with data available.
7-hydroxy-3-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)chromen-2-one
8-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-2-one
6-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-2-one
7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
C10-LAS (STANDARD MIX)
Auto-extracted from standard mix; CONFIDENCE Tentative identification: isomers possible (Level 3)
C10-LAS (SAMPLE)
Auto-extracted from 130925_neg_10.mzML; CONFIDENCE Tentative identification: isomers possible (Level 3)
C19H22O3_5-Hydroxy-6-(3-methyl-2-buten-1-yl)-2-[(1E)-1-penten-1-yl]-1-benzofuran-4-carbaldehyde
8-(4-hydroxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
7-hydroxy-3-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)chromen-2-one
Auraptene
Origin: Plant, Coumarins Auraptene is the most abundant naturally occurring geranyloxycoumarin. Auraptene decreases the secretion of matrix metalloproteinase 2 (MMP-2) as well as key inflammatory mediators, including IL-6, IL-8, and chemokine (C-C motif) ligand-5(CCL5)[1]. Auraptene is the most abundant naturally occurring geranyloxycoumarin. Auraptene decreases the secretion of matrix metalloproteinase 2 (MMP-2) as well as key inflammatory mediators, including IL-6, IL-8, and chemokine (C-C motif) ligand-5(CCL5)[1].
7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one [IIN-based: Match]
7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one [IIN-based on: CCMSLIB00000849019]
7-hydroxy-3-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)chromen-2-one_major
olomoucine
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins D004791 - Enzyme Inhibitors
Fumigaclavine A
An ergot alkaloid produced by the fungus Aspergillus fumigatus that is ergoline which is substituted by methyl groups at the 6 and 8beta positions, and by an acetoxy group at the 9beta position.
Gravelliferone
5-hydroxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone
N,a',N',a-Cyclodi(4-methylaminobenzeneethanol)
1-(3,4-Dihydroxyphenyl)-7-phenyl-6-hepten-3-ol
1-Carbazol-9-yl-3-(2-methoxy-ethylamino)-propan-2-ol
2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde
2-methyl-2-[4-(2-phenylpropan-2-yl)phenoxy]propanoic acid
3-[(4-tert-Butyl-2-methylphenoxy)methyl]phenylboronic acid
4-[(4-tert-Butyl-2-methylphenoxy)methyl]phenylboronic acid
2-[(4-TERT-BUTYL-2-METHYLPHENOXY)METHYL]PHENYLBORONIC ACID
ISOPROPYL 1,1-DIMETHYL-1,2,3,6-TETRAHYDROAZEPINO[4,5-B]INDOLE-5-CARBOXYLATE
2-[4-(1-METHYL-1-PHENYLETHYL)PHENOXY]PROPANOHYDRAZIDE
N-cyclohexyl-2-(3-formyl-2-methylindol-1-yl)acetamide
3-(3-CARBAZOL-9-YL-2-HYDROXY-PROPYLAMINO)-PROPAN-1-OL
N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzenesulfonamide
(-)-BIS[(S)-1-PHENYLETHYL]AMINEHYDROCHLORIDE
5-TERT-BUTYL 1-ETHYL 3-AMINO-3A,4,6,6A-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE-1,5-DICARBOXYLATE
1,2-Ethanediamine,N1-[[[2-(trimethoxysilyl)ethyl]phenyl]methyl]-
tert-Butyl 4-(1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-carboxylate
1,5-Dimethyl-2,4-bis[2-(trimethylsilyl)ethynyl]benzene
(4-(1-(4-ethylpiperazin-1-yl)ethyl)phenyl)boronic acid hydrochloride
[3-[6-(piperidin-1-ylmethyl)pyridin-2-yl]oxyphenyl]methanol
1-(2,3-DIMETHYL-INDOL-1-YL)-3-[(FURAN-2-YLMETHYL)-AMINO]-PROPAN-2-OL
(+)-(3R)-1,7-bis(4-hydroxyphenyl)-(6E)-6-hepten-3-ol
A diarylheptanoid that is hept-6-en-3-ol substituted by two 4-hydroxyphenyl groups at the terminal carbon atoms respectively (the R-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis.
2-amino-4-(cyclohex-3-en-1-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
(-)-(3S)-1-(3,4-dihydroxyphenyl)-7-phenyl-(6E)-6-hepten-3-ol
A diarylheptanoid that is (6E)-6-hepten-3-ol substituted by a 3,4-dihydroxyphenyl group at position 1 and a phenyl group at position 7 (the 3S- stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis.
1-(3-Tert-butyl-2-hydroxy-6-phenylmethoxyphenyl)ethanone
Hexylphosphonic acid (R)-2-methyl-3-phenylpropyl ester
Hexylphosphonic acid (S)-2-methyl-3-phenylpropyl ester
(R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
6,7,8,9-Tetrahydro-4-hydroxy-3-(1-phenylpropyl)cyclohepta[b]pyran-2-one
6-(3,7-dimethylocta-2,6-dienyl)-7-hydroxychromen-2-one
Diphthinate
An amino acid zwitterion that is the conjugate base of cationic diphthine, formed via deprotonation of both carboxy groups and protonation of the primary amino group; major species at pH 7.3.
(+)-(3R)-1-(3,4-dihydroxyphenyl)-7-phenyl-(6E)-6-hepten-3-ol
A diarylheptanoid that is (6E)-6-hepten-3-ol substituted by a 3,4-dihydroxyphenyl group at position 1 and a phenyl group at position 7 (the 3R- stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis.
(-)-(3S)-1,7-bis(4-hydroxyphenyl)-(6E)-6-hepten-3-ol
A diarylheptanoid that is hept-6-en-3-ol substituted by two 4-hydroxyphenyl groups at the terminal carbon atoms respectively (the S-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis and has been shown to inhibit NO production.
5-hydroxy-6-(3-methylbut-2-en-1-yl)-2-[(1E)-pent-1-en-1-yl]-1-benzofuran-4-carbaldehyde
4-(2-Naphthalenylmethyl)-1-piperazinecarboxylic acid ethyl ester
2-[[3-[(2-Hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol
(6R,7R,8S)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8R)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8S)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8S)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8R)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
2-[3-carboxylato-3-(trimethylammonio)propyl]-L-histidine
A L-histidine derivative that is L-histidine substituted at poisition 2 (on the imidazole ring) by a 3-carboxylato-3-(trimethylammonio)propyl group.
[(1S)-1-carboxy-3-(4-hydroxy-3,5-dimethoxyphenyl)propyl]-trimethylazanium
5,6,7,14,15,16-Hexahydro-6,15-methanobenzo(A)naphtho(2,3-F)cyclodecene
4,4-Hexamethylene-2-para-tolylperhydropyrrolo(3,4-C)pyrrole-1,3-dione
5-Methyl-4,4-tetramethylene-2-para-tolylperhydropyrrolo(3,4-C)pyrrole-1,3-dione
[1-Carboxy-3-(4-hydroxy-3,5-dimethoxyphenyl)propyl]-trimethylazanium
2,9-Dimethyl-2,9-diazatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene-3,10-diol, 9CI
2-(2,3-epoxy-(1->3)-heptadienyl)-6-hydroxy-5-(3-methyl-2-butenyl)benzaldehyde
A natural product found in Eurotium repens.
1,7-Bis(4-hydroxyphenyl)-3-heptanone
A diarylheptanoid that is 3-heptanone substituted by a 4-hydroxyphenyl group at positions 1 and 7 respectively. It has been isolated from the rhizomes of Curcuma kwangsiensis.
(E)-5-hydroxy-6-(3-methylbut-2-enyl)-2-(pent-1-enyl)benzofuran-4-carbaldehyde
A member of the class of 1-benzofurans that is 1-benzofuran substituted by a hydroxy group at position 5, a prenyl group at position 6 and a pent-1-en-1-yl group at position 2. Isolated from Chaetomium globosum, it exhibits radical scavenging activity.
(12s)-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,12-diol
(6e)-3-oxotetradec-6-en-8,10,12-triyn-1-yl 3-methylbutanoate
7-{[(2z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}chromen-2-one
4-[(2r,3r)-4-(2h-1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]phenol
4-[(3r,6e)-3-hydroxy-7-phenylhept-6-en-1-yl]benzene-1,2-diol
5-methoxy-6,12,12-trimethyltetracyclo[8.5.0.0¹,¹¹.0³,⁸]pentadeca-3(8),4,6-triene-2,9-dione
(3s,5s)-7-(4-hydroxyphenyl)-1-phenylhept-1-ene-3,5-diol
4-(2-{5-[(2r)-2-hydroxypropyl]-2-methoxyphenyl}prop-2-en-1-yl)phenol
2-methyl-6-methylideneocta-2,7-dien-1-yl 3-(4-hydroxyphenyl)prop-2-enoate
4-[5-hydroxy-7-(4-hydroxyphenyl)hept-1-en-1-yl]phenol
5-[(1r)-1-methoxyethyl]-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol
4-[(1e,5s)-5-hydroxy-7-(4-hydroxyphenyl)hept-1-en-1-yl]phenol
3-hydroxy-2-isopropyl-8,8-dimethyl-6,7-dihydro-5h-phenanthrene-1,4-dione
14-methoxy-7,7,13-trimethyltricyclo[9.4.0.0³,⁸]pentadeca-1(11),2,12,14-tetraene-4,10-dione
6-[(3r)-3,7-dimethylocta-1,6-dien-3-yl]-7-hydroxychromen-2-one
1-[(1r,2s,4ar,8as)-2-(2h-1,3-benzodioxol-5-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethanone
5-(1-methoxyethyl)-2,6-dihydroxy-1,7-dimethyl-9,10-dihydrophenanthrene
{"Ingredient_id": "HBIN010964","Ingredient_name": "5-(1-methoxyethyl)-2,6-dihydroxy-1,7-dimethyl-9,10-dihydrophenanthrene","Alias": "5-(1-methoxyethyl)-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol; 5-(1-methoxyethyl)2,6-dihydroxy-1,7-dimethyl-9,10-dihydrophenanthrene; AC1NSY2S","Ingredient_formula": "C19H22O3","Ingredient_Smile": "CC1=C(C(=C2C(=C1)CCC3=C2C=CC(=C3C)O)C(C)OC)O","Ingredient_weight": "298.41","OB_score": "35.77091094","CAS_id": "NA","SymMap_id": "SMIT00719","TCMID_id": "13917;31539","TCMSP_id": "MOL007905","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-geranyloxy-7-hydroxycoumarin
{"Ingredient_id": "HBIN011548","Ingredient_name": "5-geranyloxy-7-hydroxycoumarin","Alias": "NA","Ingredient_formula": "C19H22O3","Ingredient_Smile": "CC(=CCCC(=CCC1=C2C=CC(=O)OC2=CC(=C1)O)C)C","Ingredient_weight": "298.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8323","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "16638035","DrugBank_id": "NA"}
5-hydroxy-7-(4''-hydr oxyphenyl)-1-phenyl-3-heptanone
{"Ingredient_id": "HBIN011648","Ingredient_name": "5-hydroxy-7-(4''-hydr oxyphenyl)-1-phenyl-3-heptanone","Alias": "NA","Ingredient_formula": "C19H22O3","Ingredient_Smile": "C1=CC=C(C=C1)CCC(=O)CC(CCC2=CC=C(C=C2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10214","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(5R)-5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one
{"Ingredient_id": "HBIN011901","Ingredient_name": "(5R)-5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one","Alias": "(5R)-5-hydroxy-7-(4-hydroxyphenyl)-1-phenyl-heptan-3-one","Ingredient_formula": "C19H22O3","Ingredient_Smile": "NA","Ingredient_weight": "298.38","OB_score": "7.928535955","CAS_id": "529510-66-5","SymMap_id": "SMIT04772","TCMID_id": "NA","TCMSP_id": "MOL002553","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5r-hydroxy-7-(4''-hydroxyphenyl)-1-phenyl-3-heptanone
{"Ingredient_id": "HBIN011918","Ingredient_name": "5r-hydroxy-7-(4''-hydroxyphenyl)-1-phenyl-3-heptanone","Alias": "NA","Ingredient_formula": "C19H22O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10213","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6,8-diprenylumbelliferone
{"Ingredient_id": "HBIN012128","Ingredient_name": "6,8-diprenylumbelliferone","Alias": "NA","Ingredient_formula": "C19H22O3","Ingredient_Smile": "CC(=CCC1=C(C(=C2C(=C1)C=CC(=O)O2)CC=C(C)C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6497","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9,10-dihydro-2,6-dihydroxy-5-(1-methoxyethyl)-1,7-dimethylphenanthrene
{"Ingredient_id": "HBIN013928","Ingredient_name": "9,10-dihydro-2,6-dihydroxy-5-(1-methoxyethyl)-1,7-dimethylphenanthrene","Alias": "NA","Ingredient_formula": "C19H22O3","Ingredient_Smile": "NA","Ingredient_weight": "298.38","OB_score": "NA","CAS_id": "147850-90-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7313","PubChem_id": "NA","DrugBank_id": "NA"}
acerogenin a
{"Ingredient_id": "HBIN014376","Ingredient_name": "acerogenin a","Alias": "NA","Ingredient_formula": "C19H22O3","Ingredient_Smile": "C1CCC2=CC(=C(C=C2)O)OC3=CC=C(CCC(C1)O)C=C3","Ingredient_weight": "298.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "97","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "12000158","DrugBank_id": "NA"}
acerogenin b
{"Ingredient_id": "HBIN014377","Ingredient_name": "acerogenin b","Alias": "NA","Ingredient_formula": "C19H22O3","Ingredient_Smile": "C1CCC2=CC=C(C=C2)OC3=C(C=CC(=C3)CCC(C1)O)O","Ingredient_weight": "298.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "98","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10913542","DrugBank_id": "NA"}
α,α'-dihydro-3,5,4'-trihydroxy-5'-isopentenyl-stilbene
{"Ingredient_id": "HBIN015350","Ingredient_name": "\u03b1,\u03b1'-dihydro-3,5,4'-trihydroxy-5'-isopentenyl-stilbene","Alias": "NA","Ingredient_formula": "C19H22O3","Ingredient_Smile": "CC(=CCC1=C(C=CC(=C1)CCC2=CC(=CC(=C2)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5729","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bibenzyl cpb-2002-50-1390-3
{"Ingredient_id": "HBIN018399","Ingredient_name": "bibenzyl cpb-2002-50-1390-3","Alias": "NA","Ingredient_formula": "C19H22O3","Ingredient_Smile": "CC1(C(O1)CC2=C(C=C(C=C2CCC3=CC=CC=C3)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2348","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bibenzyl cpb-2002-50-1390-4
{"Ingredient_id": "HBIN018400","Ingredient_name": "bibenzyl cpb-2002-50-1390-4","Alias": "NA","Ingredient_formula": "C19H22O3","Ingredient_Smile": "CC1(C(O1)CC2=C(C=C(C=C2CCC3=CC=CC=C3)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2349","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
