Exact Mass: 358.1488
Exact Mass Matches: 358.1488
Found 500 metabolites which its exact mass value is equals to given mass value 358.1488
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Fumiquinazoline F
A fumiquinazoline that consists of pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione bearing a methyl substituent at position 1 and an indol-3-yl group at position 4. CONFIDENCE isolated standard
6-Gingesulfonic acid
6-Gingesulfonic acid is found in ginger. 6-Gingesulfonic acid is isolated from the rhizome of Zingiber officinale (ginger). Isolated from the rhizome of Zingiber officinale (ginger). 6-Gingesulfonic acid is found in herbs and spices and ginger.
Scabertopin
3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
11-methyl-2,7-dimethylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl (2Z)-2-methylbut-2-enoate
(7S,8R,1S,5R,6R)-Delta2,8-5,6-dihydroxy-3-methoxy-3,4-methylenedioxy-4-oxo-8.1,7.5-neolignan
12,16-epoxy-6,11,14,17-tetrahydroxy-17(15-16)abeo-5,8,11,13,15-abietapentaen-7-one
12,14-Dihydroxy-7-oxo-2,3-seco-19(4->3)-abeo-4(18),8,11,13-abietatetraen-2,11-olide|Salvipalolide
8-hydroxy-15,16-epoxy-cis-cleroda-3,13(16)14-triene-18,6:20,12-diolide
3-(3,5-dimethoxy-4-hydroxyphenyl)propanol-trans-coumarate|3-<3,5-dimethoxy-4-hydroxyphenyl>propanol-trans-coumarate
6-keto-teuscordin|6-ketoteuscordin|6-ketoteuscorodin
2-[4-[hydroxy(oxiran-2-yl)methyl]-2-methoxyphenyl]-4-(3-hydroxyprop-1-enyl)-6-methoxyphenol
8-(3,3-dimethylallyl)-(+)-catechin|8-(3,3-Dimethylallyl)catechin
8beta-angeloyloxy-5beta,10beta-epoxy-3-oxo-germacrane-1Z,4(15),11(13)-trien-6alpha,12-olide|helivypolide F
(+)-7,4,4,5-tetra-O-methyl-2,3-trans-3,4-trans-peltogynol
9beta-hydroxy-8beta-tiglinoyloxy-2-oxo-lasiolaenin
(1(10)E,4E,8Z)-8-(angeloyloxy)-6alpha,15-dihydroxy-14-oxogermarca-1(10),4,8,11(13)-tetraen-12-oic acid 12,6-lactone|(2Z)-2-methylbut-2-enoic acid (3aS,4Z,6E,10E,11aR)-6-formyl-2,3,3a,8,9,11a-hexahydro-10-(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester
2E-3-(4-hydroxyisopentenyl)-2,4,2,4-tetrahydroxychalcone
isomurranganon senecioate|Isomurranganone senecioate
6-(3,3-dimethylallyl)-(+)-catechin|6-(3,3-Dimethylallyl)catechin
(16R)-12,16-epoxy-11,14,17-trihydroxy-17(15->16)-abeo-abieta-5,8,11,13-tetraene-2,7-dione|17-hydroxyteuvincen-5(6)-enone G
2-Methoxy-5-[[1-(3-methoxy-4-hydroxyphenyl)-tetrahydro-1H,3H-furo[3,4-c]furan]-4-yl]phenol
negundin B
A lignan that consists of 7,8-dihydronaphthalen-2-ol substituted by a 4-hydroxy-3-methoxyphenyl group at position 8, hydroxymethyl groups at positions 6 and 7 and a methoxy group at position 3 (the 7R,8S stereoisomer). Isolated from Vitex negundo, it exhibits inhibitory activity against lipoxygenase.
(7S,8R,1S,5R,6R)-Delta2,8-3,6-dihydroxy-5-methoxy-3,4-methylenedioxy-4-oxo-8.1,7.5-neolignan|rel-(7R,8S,1R,2R,3S)-Delta8-2,5-dihydroxy-3-methoxy-3,4-methylenedioxy-1,2,3,4-tetrahydro-4-oxo-7.3,8.1-neolignan
2,4,4-trihydroxy-3-(2,3-dihydroxy-3-methylbutyl)chalcone|brosimacutin M
2-Oxoligustrin-8-((2R*,3R*)-2-methyl-2,3-epoxybutyrat)|2-Oxoligustrin-8-<(2R*,3R*)-2-methyl-2,3-epoxybutyrat>
3-[2,3-Dihydro-2-(3-methoxy-4-hydroxyphenyl)-3-(hydroxymethyl)-7-methoxybenzofuran-5-yl]propanal
5S,6R,7R,8R,11R-2,14-dioxo-8-tigloyloxyguaia-1(10),3-diene-6,12-olide
2-Methoxy-4-[3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxybenzofuran-2-yl]phenol
(2SR,6RS)-6-[7-hydroxy-8-(4-hydroxyphenyl)ethyl]-2-(4-hydroxy-3-methoxyphenyl)-tetrahydropyran-4-one|engelheptanoxide B
(E)-1-(3,4-dihydroxy-5-methoxyphenyl)-7-(3,4-dihydroxyphenyl)hept-4-en-3-one|gingerenone D
2,4-Dihydroxy-6-methylbenzoic acid 2-(3-methyl-2-butenyl)-3-methoxy-4-hydroxyphenyl ester
(2S)-2,3-dihydro-5,7-dihydroxy-2-[4-hydroxy-3-(3-hydroxy-3-methylbutyl)phenyl]-4H-1-benzopyran-4-one|(2S)-5,7,4?-trihydroxy-3?-(3-hydroxy-3-methylbutyl)flavanone|3?-(3-hydroxy-3-methylbutyl)naringenin
9,9-dihydroxy-3,4-methylenedioxy-3-methoxy<7-O-4,8-5>neolignan
(1R*,5S*,6R*,7R*,8R*,10R*)-1-hydroxy-8-(3-furoyloxy)-eudesma-4(15),11(13)-dien-6,12-olide
4,4,6-Trihydroxy-2,3-dimethoxy-3-prenylbenzophenone
1-(1,3-Benzodioxol-5-yl)-2,3-dimethyl-6-methoxytetralin-1,2,7-triol
3-hydroxy-8beta-angeloyloxy-1,10-dehydroarbiglovin
4,9a-dihydroxy-3,7-dimethyl-5,9-dioxo-7-vinyl-1,2,3,5,7,8,9,9a,10,10a-decahydrocyclopropa[d]phenanthrene-3-carboxylic acid|myrocin A
(2R,3R)-2-(4-hydroxy-3-methoxybenzyl)-3-(3-hydroxy-4-methoxybenzyl)butyrolactone|matairesinol
12,16-epoxy-6,11,14,15-tetrahydroxy-17(15-16)abeo-3alpha,18-cyclo-5,8,11,13-abietatetraen-7-one
alpha-{(3S*,4R*)--tetrahydro-4-[(4-hydroxy-3-methoxyphenyl)methyl]furan-3-yl}-1,3-benzodioxole-5-methanol
(1S,2S,3R,4S)-1,4-di(benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutane-1,4-diol|saucerneol I
(3S,6R)-2-ethyl-3a,4,8,8a-tetrahydro-6,9-dihydroxy-1-methoxy-3H,6H-spiro[indole-3,7-[3,6]methanooxepino[4,3-b]pyrrol]-2(1H)-one|11,14-dihydroxygelsenicine
Dihydrocubebin
Dihydrocubebin is a glycol that is butane-1,4-diol substituted at the 2- and 3-positions by (1,3-benzodioxol-5-yl)methyl groups (the R,R-configuration). It is a lignan, a member of butanediols, a glycol and a member of benzodioxoles. Dihydrocubebin is a natural product found in Podolepis rugata, Horsfieldia irya, and other organisms with data available. A glycol that is butane-1,4-diol substituted at the 2- and 3-positions by (1,3-benzodioxol-5-yl)methyl groups (the R,R-configuration).
Isoatriplicolide tiglate
Isoatriplicolide tiglate is a natural product found in Helianthus tuberosus and Helianthus schweinitzii with data available.
(-)-DCA
(-)-dehydrodiconiferyl alcohol is a dehydrodiconiferyl alcohol that has (2R,3S)-configuration. It is a natural product isolated from several plant species including Aglaia foveolata, Viburnum erosum and Rosa multiflora. It has a role as a plant metabolite. It is an enantiomer of a (+)-dehydrodiconiferyl alcohol. (-)-Dehydrodiconiferyl Alcohol is a natural product found in Campylotropis hirtella, Kadsura coccinea, and other organisms with data available. A dehydrodiconiferyl alcohol that has (2R,3S)-configuration. It is a natural product isolated from several plant species including Aglaia foveolata, Viburnum erosum and Rosa multiflora.
G(8-5)G
Dehydrodiconiferyl alcohol is a guaiacyl lignin obtained by cyclodimerisation of coniferol. It has a role as a plant metabolite and an anti-inflammatory agent. It is a member of 1-benzofurans, a primary alcohol, a guaiacyl lignin and a member of guaiacols. It is functionally related to a coniferol. Dehydrodiconiferyl alcohol is a natural product found in Urtica dioica, Arabidopsis thaliana, and other organisms with data available. A guaiacyl lignin obtained by cyclodimerisation of coniferol.
rac Matairesinol
(+)-Matairesinol is a natural product found in Haplophyllum cappadocicum, Stellera chamaejasme, and other organisms with data available.
3,4,2,4,6-Pentamethoxychalcone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.169 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.168
Epipinoresinol
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.083 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.823 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.929 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.928
Matairesinol
Annotation level-1 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 17 INTERNAL_ID 17; CONFIDENCE Reference Standard (Level 1) relative retention time with respect to 9-anthracene Carboxylic Acid is 0.920 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.921 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.910 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.909 Matairesinol confers anti-allergic effects in an allergic dermatitis mouse model. DfE-induced changes in IL-4 and IFN-γ mRNA expression in the ears of NC/Nga mice were reversed by matairesinol application[1]. Matairesinol confers anti-allergic effects in an allergic dermatitis mouse model. DfE-induced changes in IL-4 and IFN-γ mRNA expression in the ears of NC/Nga mice were reversed by matairesinol application[1].
[2-(7-methoxy-2-oxochromen-8-yl)-4-methylideneoxolan-3-yl] 3-methylbutanoate
(E)-3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
5-[6-(3-hydroxy-4-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
4-[(3S,3aR,6S,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
Columbin
Columbin is an organic heterotricyclic compound and an organooxygen compound. (2S,4AR,6aR,7R,10R,10aS,10bS)-2-(furan-3-yl)-7-hydroxy-6a,10b-dimethyl-4a,5,6,6a,7,10,10a,10b-octahydro-1H-10,7-(epoxymethano)benzo[f]isochromene-4,12(2H)-dione is a natural product found in Vateria indica, Penianthus zenkeri, and other organisms with data available. Columbin is an orally active diterpenoid furanolactone from Calumbae radix, has anti-inflammatory and anti-trypanosomal effects. Columbin selectively inhibits COX-2 (EC50=53.1 μM) over COX-1 (EC50=327 μM)[1][2]. Columbin is an orally active diterpenoid furanolactone from Calumbae radix, has anti-inflammatory and anti-trypanosomal effects. Columbin selectively inhibits COX-2 (EC50=53.1 μM) over COX-1 (EC50=327 μM)[1][2].
C20H22O6_Benzoic acid, 2-hydroxy-6-[2-hydroxy-6-(hydroxymethyl)-4-methylphenoxy]-3-(3-methyl-2-buten-1-yl)
C20H22O6_2-Butenoic acid, 2-methyl-, (3aR,4S,11E,12aR)-2,3,3a,4,5,9,10,12a-octahydro-11-methyl-3-methylene-2,7-dioxo-7H-9,6-methenofuro[2,3-f]oxacycloundecin-4-yl ester, (2Z)
C20H22O6_11-Methyl-2,7-bis(methylene)-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0~4,8~]tetradec-1(13)-en-9-yl (2Z)-2-methyl-2-butenoate
C20H22O6_4-Hydroxy-5,8-dimethyl-3-methylene-2,7-dioxo-2,3,3a,4,4a,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl 3-methyl-2-butenoate
C20H22O6_(1R,2S,3S,5S,11R,12R)-5-(3-Furyl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.0~2,11~.0~3,8~]hexadec-15-ene-7,13-dione
C20H22O6_Cyclopropa[d]phenanthrene-3-carboxylic acid, 7-ethenyl-1,2,3,5,7,8,9,9a,10,10a-decahydro-4,9a-dihydroxy-3,7-dimethyl-5,9-dioxo-, (3R,7S,9aR,9bR,10aR)
C20H22O6_2-Butenoic acid, 2-methyl-, (3aR,4R,5R,9aS,9bR)-2,3,3a,4,5,7,9a,9b-octahydro-4-hydroxy-6,9-dimethyl-3-methylene-2,7-dioxoazuleno[4,5-b]furan-5-yl ester, (2Z)
(E)-3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
5-[6-(3-hydroxy-4-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
(9-hydroxy-5,8-dimethyl-1-methylidene-2,6-dioxo-4,8a,9,9a-tetrahydro-3aH-azuleno[6,7-b]furan-4-yl) 3-methylbut-2-enoate
(1R,2S,3S,5S,11R,12R)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadec-15-ene-7,13-dione
(E)-3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one [IIN-based on: CCMSLIB00000846589]
(E)-3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one [IIN-based: Match]
Triethylene glycol dibenzoate
CONFIDENCE standard compound; INTERNAL_ID 371; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9479; ORIGINAL_PRECURSOR_SCAN_NO 9478 CONFIDENCE standard compound; INTERNAL_ID 371; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9489; ORIGINAL_PRECURSOR_SCAN_NO 9486
5-[6-(3-hydroxy-4-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol_major
11-methyl-2,7-dimethylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl (2Z)-2-methylbut-2-enoate_major
(1R,2S,3S,5S,11R,12R)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadec-15-ene-7,13-dione_major
(9-hydroxy-5,8-dimethyl-1-methylidene-2,6-dioxo-4,8a,9,9a-tetrahydro-3aH-azuleno[6,7-b]furan-4-yl) 3-methylbut-2-enoate_major
11-methyl-2,7-dimethylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0?,?]tetradec-1(13)-en-9-yl (2Z)-2-methylbut-2-enoate
(1R,2S,3S,5S,11R,12R)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.0²,¹¹.0³,?]hexadec-15-ene-7,13-dione
Ala Asp Gly Pro
Ala Asp Pro Gly
Ala Gly Asp Pro
Ala Gly Pro Asp
Ala Pro Asp Gly
Ala Pro Gly Asp
Asp Ala Gly Pro
Asp Ala Pro Gly
Asp Gly Ala Pro
Asp Gly Pro Ala
Asp Pro Ala Gly
Asp Pro Gly Ala
Glu Gly Gly Pro
Glu Gly Pro Gly
Glu Pro Gly Gly
Gly Ala Asp Pro
Gly Ala Pro Asp
Gly Asp Ala Pro
Gly Asp Pro Ala
Gly Glu Gly Pro
Gly Glu Pro Gly
Gly Gly Glu Pro
Gly Gly Pro Glu
Gly Pro Ala Asp
Gly Pro Asp Ala
Gly Pro Glu Gly
Gly Pro Gly Glu
Pro Ala Asp Gly
Pro Ala Gly Asp
Pro Asp Ala Gly
Pro Asp Gly Ala
Pro Glu Gly Gly
Pro Gly Ala Asp
Pro Gly Asp Ala
Pro Gly Glu Gly
Glicophenone
(7'x,8'x)-4,7'-Epoxy-3,8'-bilign-7-ene-3,5'-dimethoxy-4',9,9'-triol
4-(BENZYL(2-(4-NITROPHENOXY)ETHYL)AMINO)BUTANOIC ACID
1-N-CBZ-1,2-DIHYDRO-1H-SPIRO[INDOLE-3,4-PIPERIDINE] HYDROCHLORIDE
Benzoic acid,4-[(butoxycarbonyl)oxy]-, 4-ethoxyphenyl ester
N-[(2-Cyano[1,1-biphenyl]-4-yl)methyl]-L-valine methyl ester hydrochloride
tert-Butyl 4-(2-formyl-4-(trifluoromethyl)phenyl)piperazine-1-carboxylate
5-benzoyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-pyrrolizine-1-carboxamide
BENZYL 4,6-O-BENZYLIDENE-ALPHA-D-GALACTOPYRANOSIDE
Pyrrolo[3,2,1-jk][1,4]benzodiazepine-7(1H)-acetic acid, 2-[(1,1-dimethylethoxy)carbonyl]-3,4-dihydro-Alpha-oxo-, methyl ester
TERT-BUTYL (4-FORMYL-5-((4-METHOXYBENZYL)OXY)PYRIDIN-3-YL)CARBAMATE
1-Methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-ene-8,17-dione
3,4-Bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-biphenyl-3-ylmethyl]-urea
2-Hydroxy-6-[2-hydroxy-6-(hydroxymethyl)-4-methyl-phenoxy]-3-(3-methylbut-2-enyl)benzoic acid
5-O-Methylhierochin D
A dehydrodiconiferyl alcohol that has (2S,3R)-configuration. A natural product isolated from several plant species including Allium sativum and Codonopsis pilosula.
Pterolinus H
A cyclic ketone that is cyclohexa-2,5-dien-1-one substituted by a methoxy group at position 5, a 2-oxopropyl group at position 4, a hydroxy group at position 4 and a prop-2-en-1-yl group at position 2 which in turn is substituted by s a 3-hydroxy-4-methoxyphenyl group at position 1 . It has been isolated from Pterocarpus santalinus.
3-[3-[2-(2-Carbamoylphenoxy)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]propanoic acid methyl ester
(5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione
1-[5-(2-Furanylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-phenylethanone
4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)-1-piperidinecarboxamide
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-4-[(E)-2-phenylethenyl]pyridinium
3-(4-hydroxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
(1S,5R)-3-(1-methylimidazol-4-yl)sulfonyl-7-[4-[(E)-prop-1-enyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane
[2-(7-Methoxy-2-oxochromen-8-yl)-4-methylideneoxolan-3-yl] 3-methylbutanoate
4-(4-Acetamidophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
4,8,14-Trihydroxy-17-methoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-10-one
1-[(Z)-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylideneamino]-3-(4-propan-2-ylphenyl)thiourea
(11-methyl-2,7-dimethylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl) (Z)-2-methylbut-2-enoate
(2S)-2beta-(3-Furyl)-7-hydroxy-6aalpha,10bbeta-dimethyl-10beta,7beta-(epoxymethano)-1,2,4a,5,6,6a,7,10,10aalpha,10b-decahydro-4H-naphtho[2,1-c]pyran-4,12-dione
3-Phenyl-2-(trimethylsilyl)oxybenzoic acidtrimethylsilyl ester
Isocolumbin
(3R,13S,17R,18S)-7,13,16,17-tetrahydroxy-2,2-dimethyl-10-oxapentacyclo[14.2.1.03,12.04,9.013,18]nonadeca-4(9),5,7,11-tetraen-14-one
(7x,8x)-4,7-Epoxy-3,8-bilign-7-ene-3,5-dimethoxy-4,9,9-triol
(-)-Matairesinol
A lignan that is gamma-butyrolactone in which the 3 and 4 positions are substituted by 4-hydroxy-3-methoxybenzyl groups (the 3R,4R-diastereomer).
(1's,3s,4's,7'r,8's,11'r)-6'-ethyl-7',11'-dihydroxy-1-methoxy-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0⁴,⁸]undecan]-5'-en-2-one
5-(furan-3-yl)-7'-methyl-12',14'-dioxaspiro[oxolane-3,6'-tetracyclo[7.4.1.0¹,¹⁰.0⁵,¹⁰]tetradecane]-2,13'-dione
(4s,4ar,5s,7s,8s,8as)-3,4,4a,5,6,7,8,8a-octahydro-2h-2',4'-dioxaspiro[naphthalene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaene-4,5,7,8-tetrol
(3ar,5's,6as,7r,8r,10ar)-5'-(furan-3-yl)-8-methyl-octahydrospiro[naphtho[4,4a-c]furan-7,3'-oxolane]-2',3,10-trione
11-hydroxy-13-isopropyl-18-methyl-4,9,10-trioxapentacyclo[9.6.2.0²,⁶.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-2(6),12,15(19)-triene-5,14-dione
(1s)-1-(7-methoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl 3-methylbut-2-enoate
6-[(2r,3r,4s)-4-(2h-1,3-benzodioxol-5-yl)-4-hydroxy-2,3-dimethylbutyl]-2h-1,3-benzodioxol-5-ol
3-[(2s,3s)-2-(2h-1,3-benzodioxol-5-yl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol
(2r,3s)-2,3-bis(2h-1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
(3ar,4r,6ar,9ar,9br)-9-methyl-3,6-dimethylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl (5s)-5-hydroxy-2,5-dihydrofuran-3-carboxylate
4-{7-[(3-hydroxy-4-methoxyphenyl)methyl]-1,5-dioxaspiro[2.4]heptan-4-yl}-2-methoxyphenol
(3r,4'r,5s,6'r,8's,12'r)-5-(furan-3-yl)-12'-(hydroxymethyl)-6'-methyl-3'-oxaspiro[oxolane-3,7'-tricyclo[6.3.1.0⁴,¹²]dodecan]-1'(11')-ene-2,2'-dione
(2r)-1-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(3,4-dihydroxyphenyl)-2-hydroxypropan-1-one
(3r,4s)-6-hydroxy-7-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-3,4,5-trimethyl-3,4-dihydro-2-benzopyran-8-one
3-{2-[4-(acetyloxy)-3-methoxyphenyl]ethyl}-5-methoxyphenyl acetate
(2s)-8-[(2s)-2,3-dihydroxy-3-methylbutyl]-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(1s,2s,4s,5s,7s,9s,11s,13s)-7-isopropyl-1-methyl-3,6,10,16-tetraoxaheptacyclo[11.7.0.0²,⁴.0²,⁹.0⁵,⁷.0⁹,¹¹.0¹⁴,¹⁸]icos-14(18)-ene-8,17-dione
(1's,3s,4's,7'r,8's,11'r)-6'-ethyl-6,11'-dihydroxy-1-methoxy-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0⁴,⁸]undecan]-5'-en-2-one
4-(4-hydroxy-3-methoxybenzoyl)-5-methoxy-6-(3-methylbut-2-en-1-yl)benzene-1,3-diol
(1r)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-en-1-yl butanoate
(1r,2r,4r,7r,9r,10r,14r)-7-(furan-3-yl)-2-hydroxy-9-methyl-6,16-dioxatetracyclo[8.7.0.0¹,¹⁴.0⁴,⁹]heptadec-12-ene-5,15-dione
4-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenyl 2,4-dihydroxy-6-methylbenzoate
methyl 2-{6-[(2e)-but-2-en-2-yl]-2,4-dihydroxy-3-methylphenoxy}-4-hydroxy-6-methylbenzoate
7-(furan-3-yl)-3-hydroxy-9-methyl-6,16-dioxatetracyclo[8.7.0.0¹,¹⁴.0⁴,⁹]heptadec-13-ene-5,15-dione
5-(furan-3-yl)-12'-(hydroxymethyl)-6'-methyl-3'-oxaspiro[oxolane-3,7'-tricyclo[6.3.1.0⁴,¹²]dodecan]-1'(11')-ene-2,2'-dione
(3ar,4r,9as,9br)-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl (5s)-5-hydroxy-2,5-dihydrofuran-3-carboxylate
(5e)-10-[2-(furan-3-yl)-2-oxoethyl]-10-methyl-4-methylidenecyclodeca-5,7-diene-1,5-dicarboxylic acid
(1r,2s,3s,5r,7r,11s,13r,15s,17r,19s)-17-(furan-3-yl)-19-methyl-4,9,14,16-tetraoxahexacyclo[11.5.1.0¹,¹⁵.0²,¹¹.0³,⁵.0⁷,¹¹]nonadecan-8-one
5-(furan-3-yl)-6'-hydroxy-6',12'-dimethyl-3'-oxaspiro[oxolane-3,7'-tricyclo[6.3.1.0⁴,¹²]dodecan]-1'(11')-ene-2,2'-dione
(1s,2r,3s,5r,7r,11s,13r,15r,17r,19s)-17-(furan-3-yl)-19-methyl-4,9,14,16-tetraoxahexacyclo[11.5.1.0¹,¹⁵.0²,¹¹.0³,⁵.0⁷,¹¹]nonadecan-8-one
(2z,4r,8s,9r,11s)-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl (2z)-2-methylbut-2-enoate
1-(7-methoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl 3-methylbut-2-enoate
(4s,5s)-4,5-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-one
(11br)-5,7,11-trihydroxy-9-(hydroxymethyl)-4,4,11b-trimethyl-1h,2h,3h-phenanthro[3,2-b]furan-6-one
(1s,2r,3r,5r,8s,11s,12s)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadec-15-ene-7,13-dione
(1s,2s,5r,9s,12s,15s,17r)-5-ethenyl-2,9-dihydroxy-5,12-dimethyl-10-oxapentacyclo[7.7.1.0¹,¹⁵.0²,⁷.0¹²,¹⁷]heptadec-6-ene-3,8,11-trione
8-(4-hydroxy-3-methoxyphenyl)-5-methoxy-9-methyl-3-(prop-2-en-1-yl)-6-oxabicyclo[3.2.2]non-3-ene-2,7-dione
(1r,2r,3s,5r,7r,11s,13r,15r,17r,19s)-17-(furan-3-yl)-19-methyl-4,9,14,16-tetraoxahexacyclo[11.5.1.0¹,¹⁵.0²,¹¹.0³,⁵.0⁷,¹¹]nonadecan-8-one
3-hydroxy-4-(1h-indol-3-ylmethyl)-1-methyl-1h,4h-pyrazino[2,1-b]quinazolin-6-one
1-[2-(2h-1,3-benzodioxol-5-yl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propane-1,2-diol
6'-ethyl-7',11'-dihydroxy-1-methoxy-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0⁴,⁸]undecan]-5'-en-2-one
2-[(2s,3s)-3-(7-methoxy-2-oxochromen-8-yl)oxiran-2-yl]prop-2-en-1-yl 3-methylbutanoate
3-(4-hydroxy-3,5-dimethoxyphenyl)propyl (2z)-3-(4-hydroxyphenyl)prop-2-enoate
7-ethenyl-7-methyl-5,12-dimethylidene-4,11-dioxo-3,10-dioxatricyclo[7.3.0.0²,⁶]dodecan-8-yl 2-methylbut-2-enoate
7-(2h-1,3-benzodioxol-5-yl)-3,8-dihydroxy-1-methoxy-6-methyl-5-(prop-2-en-1-yl)bicyclo[3.2.1]oct-3-en-2-one
(1r,2s,3s,5s,8s,11r,12r)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadec-15-ene-7,13-dione
5-hydroxy-9-methyl-3,6-dimethylidene-2,7-dioxo-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-methylbut-2-enoate
[3,3',4,4'-tetrahydro-6,6'-dimethoxy-3,3'-bi-2H-benzopyran]-4,4'-diol
{"Ingredient_id": "HBIN007077","Ingredient_name": "[3,3',4,4'-tetrahydro-6,6'-dimethoxy-3,3'-bi-2H-benzopyran]-4,4'-diol","Alias": "NA","Ingredient_formula": "C20H22O6","Ingredient_Smile": "COC1=CC2=C(C=C1)OCC(C2O)C3COC4=C(C3O)C=C(C=C4)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41975","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-o-angeloylhamaudol
{"Ingredient_id": "HBIN009121","Ingredient_name": "3-o-angeloylhamaudol","Alias": "3-o-angeloyl-hamaudol","Ingredient_formula": "C20H22O6","Ingredient_Smile": "CC=C(C)C(=O)OC1CC2=C(C=C3C(=C2O)C(=O)C=C(O3)C)OC1(C)C","Ingredient_weight": "358.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT18500","TCMID_id": "1211;24030","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "56643444","DrugBank_id": "NA"}
3'-O-angeloylhamaudol
{"Ingredient_id": "HBIN009122","Ingredient_name": "3'-O-angeloylhamaudol","Alias": "3'-o-angeloylhamaudol; AC1NSXB0; (5-hydroxy-2,2,8-trimethyl-6-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) (Z)-2-methylbut-2-enoate","Ingredient_formula": "C20H22O6","Ingredient_Smile": "CC=C(C)C(=O)OC1CC2=C(C=C3C(=C2O)C(=O)C=C(O3)C)OC1(C)C","Ingredient_weight": "358.42","OB_score": "12.00659883","CAS_id": "NA","SymMap_id": "SMIT01203","TCMID_id": "30606","TCMSP_id": "MOL011736","TCM_ID_id": "24344","PubChem_id": "NA","DrugBank_id": "NA"}
3'-o-demethyldenudanolide b; 3'-me ether
{"Ingredient_id": "HBIN009312","Ingredient_name": "3'-o-demethyldenudanolide b; 3'-me ether","Alias": "NA","Ingredient_formula": "C20H22O6","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8014","PubChem_id": "NA","DrugBank_id": "NA"}
4,6,4'-trihydroxy-2,3'-dimethoxy-3-prenyl-benzophenone
{"Ingredient_id": "HBIN010052","Ingredient_name": "4,6,4'-trihydroxy-2,3'-dimethoxy-3-prenyl-benzophenone","Alias": "NA","Ingredient_formula": "C20H22O6","Ingredient_Smile": "CC(=CCC1=C(C=C(C(=C1OC)C(=O)C2=CC(=C(C=C2)O)OC)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21699","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4,7'-epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol; (7'r,8'r)-form,3',5-di-me ether
{"Ingredient_id": "HBIN010120","Ingredient_name": "4,7'-epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol; (7'r,8'r)-form,3',5-di-me ether","Alias": "NA","Ingredient_formula": "C20H22O6","Ingredient_Smile": "NA","Ingredient_weight": "358.39","OB_score": "NA","CAS_id": "133318-47-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7886","PubChem_id": "NA","DrugBank_id": "NA"}
4αh-polystachyne d
{"Ingredient_id": "HBIN010198","Ingredient_name": "4\u03b1h-polystachyne d","Alias": "NA","Ingredient_formula": "C20H22O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "17672","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6β-hydroxyteuscordin
{"Ingredient_id": "HBIN012280","Ingredient_name": "6\u03b2-hydroxyteuscordin","Alias": "NA","Ingredient_formula": "C20H22O6","Ingredient_Smile": "CC1CC(C23COC(=O)C2=CCCC3C14CC(OC4=O)C5=COC=C5)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10761","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alpha-methyl-n-butyrylshijonin
{"Ingredient_id": "HBIN015607","Ingredient_name": "alpha-methyl-n-butyrylshijonin","Alias": "NA","Ingredient_formula": "C20H22O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25518","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}