Exact Mass: 378.1667768
Exact Mass Matches: 378.1667768
Found 500 metabolites which its exact mass value is equals to given mass value 378.1667768
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cnicin
C1907 - Drug, Natural Product > C28269 - Phytochemical > C93252 - Sesquiterpene Lactone
Niveusin C
Niveusin C is found in fats and oils. Niveusin C is a constituent of Helianthus annuus (sunflower) Constituent of Helianthus annuus (sunflower). Niveusin C is found in sunflower and fats and oils.
(1E,4Z,6a,8b,10a)-8-(2-Methylbutanoyloxy)-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide
(1E,4Z,6a,8b,10a)-8-(2-Methylbutanoyloxy)-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide is found in fats and oils. (1E,4Z,6a,8b,10a)-8-(2-Methylbutanoyloxy)-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide is a constituent of Helianthus species. Constituent of Helianthus subspecies (1E,4Z,6a,8b,10a)-8-(2-Methylbutanoyloxy)-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide is found in fats and oils.
Gibberellin A17
Gibberellin A17 (GA17) belongs to the class of organic compounds known as C20-gibberellin 20-carboxylic acids. These are C20-gibberellins with a carboxyl group at the 6-position. Thus, gibberellin A17 is considered to be an isoprenoid lipid molecule. Gibberellin A17 is found in apple. Gibberellin A17 is isolated from seeds of Phaseolus vulgaris (kidney bean). Isolated from seeds of Phaseolus vulgaris (kidney bean). Gibberellin A17 is found in many foods, some of which are caraway, opium poppy, guava, and soft-necked garlic.
15-Hydroxyleptocarpin
15-Hydroxyleptocarpin is found in fats and oils. 15-Hydroxyleptocarpin is a constituent of Helianthus annuus (sunflower). Constituent of Helianthus annuus (sunflower). 15-Hydroxyleptocarpin is found in fats and oils.
Gibberellin A66
Gibberellin A66 (GA66) belongs to the class of organic compounds known as C20-gibberellin 20-carboxylic acids. These are C20-gibberellins with a carboxyl group at the 6-position. Gibberellin A66 is found in fats and oils. Gibberellin A66 is isolated from seeds of Helianthus annuus (sunflower). Isolated from seeds of Helianthus annuus (sunflower). Gibberellin A66 is found in sunflower and fats and oils.
Carinol
Carinol is found in beverages. Carinol is a constituent of roots of Carissa carandas (karanda)
Gibberellin A52
Gibberellin A52 (GA52) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A52 is found in calabash. Gibberellin A52 is a constituent of immature seeds of Lagenaria leucantha (bottle gourd). Constituent of immature seeds of Lagenaria leucantha (bottle gourd). Gibberellin A52 is found in calabash and green vegetables.
Gibberellin A99
Gibberellin A99 (GA99) belongs to the class of organic compounds known as C20-gibberellin 6-carboxylic acids. These are C20-gibberellins with a carboxyl group at the 6-position. Gibberellin A99 is found in green vegetables. Gibberellin A99 is a constituent of Spinacia oleracea (spinach). Constituent of Spinacia oleracea (spinach). Gibberellin A99 is found in green vegetables and spinach.
Gibberellin A102
Gibberellin A102 (GA102) belongs to the class of organic compounds known as C20-gibberellin 6-carboxylic acids. These are C20-gibberellins with a carboxyl group at the 6-position. Gibberellin A102 is found in fats and oils. Gibberellin A102 is a constituent of seeds of Helianthus annuus (sunflower). Constituent of seeds of Helianthus annuus (sunflower). Gibberellin A102 is found in sunflower and fats and oils.
Gibberellin A125
Gibberellin A125 (GA125) belongs to the class of organic compounds known as C20-gibberellin 6-carboxylic acids. These are C20-gibberellins with a carboxyl group at the 6-position. Gibberellin A125 is found in fruits. Gibberellin A125 is a constituent of strawberry (Fragaria x ananassa). Constituent of strawberry (Fragaria x ananassa). Gibberellin A125 is found in strawberry and fruits.
Cynisin
Gibberellin A13
Gibberellin a13 is a member of the class of compounds known as c20-gibberellin 20-carboxylic acids. C20-gibberellin 20-carboxylic acids are c20-gibberellins with a carboxyl group at the 20-position. Gibberellin a13 is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a13 can be found in a number of food items such as japanese pumpkin, catjang pea, boysenberry, and carob, which makes gibberellin a13 a potential biomarker for the consumption of these food products.
Gibberellin A23
Gibberellin a23 is a member of the class of compounds known as c20-gibberellin 6-carboxylic acids. C20-gibberellin 6-carboxylic acids are c20-gibberellins with a carboxyl group at the 6-position. Gibberellin a23 is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a23 can be found in sweet potato, which makes gibberellin a23 a potential biomarker for the consumption of this food product.
6-Formyl-2,3,3a,4,5,8,9,11a-octahydro-5-hydroxy-10-(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methylbutanoic acid
3alpha-Hydroxytrichomoriolide
8beta-(4-hydroxytigloyloxy)-3beta,14-dihydroxy-6betaH,7alphaH-germacra-1(10)Z,4Z,11(13)-trien-6,12-olide
Cyclocratystyolide
[3aS-[3aR*,4R*(Z),5R*,6R*,10E,11aS*]]-2,3,3a,4,5,6,7,8,9,11a-Decahydro-5,6-dihydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester 2-methyl-2-butenoic acid
[3aR-[3aR*,4R*(2R*,3R*),6E,8S*,10E,11aR*]]-2,3,3a,4,5,8,9,11a-Octahydro-8-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-(hydroxymethyl)-3-methyl-oxiranecarboxylic acid
3-Oxo-4beta,8beta,10beta-trihydroxy-15,16-epoxy-cis-clerodane-13(16),14-dien-20,12-olide
1alpha,4alpha,10alpha-Trihydroxy-9alpha-angeloyloxyguaia-2,11(13)-dien-12,6alpha-olide
[3aR-[3aR*,4R*(Z),6S*,9S*,10Z,11aR*]]-2,3,3a,4,5,6,7,8,9,11a-Decahydro-6,9-dihydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester 2-methyl-2-butenoic acid
15-Hydroxyleptocarpin
(2aR,3R,3R,5R,8S,9aR)-5-(3-Furyl)-3,8-dihydroxy-9a-(hydroxymethyl)-5-methyloctahydro-3H,6aH-spiro[furan-3,6-naphtho[1,8a-b]oxet]-2-one
Butanoic acid, 2-methyl-, (10Z)-6-formyl-2,3,3a,4,5,8,9,11a-octahydro-5-hydroxy-10-(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester
8beta-angeloyloxy-14-oxo-4beta,9beta-dihydroxy-guaia-11(13)-en-6,12-olide
9-oxo-3Z-seco-ratiferolide-5alpha-O-(2-methylbutyrate)|9-oxo-3Z-seco-ratiferolide-5alpha-O-<2-methylbutyrate>
8beta-(epoxyangeloyloxy)-14-hydroxytithifolin|8beta--14-hydroxytithifolin|8beta?epoxyangeloyloxy?14?hydroxytithifolin
1-oxo-8-desacetylzacatechinolide-(2-methyl butyrate)
(6E)-3-(beta-D-glucopyranosyloxy)tetradec-6-ene-8,10,12-triyn-1-ol|3-beta-D-glucopyranosyloxy-1-hydroxy-(6E)-tetradecene-8,10,12-triyne|3-beta-D-glucopyranosyloxy-1-hydroxy-6(E)-tetradecene-8,10,12-triyne|3-beta-glucopyranosyloxy-1-hydroxy-6E-tetradecene-8,10,12-triyne
8alpha-O-(3,4-dihydroxy-2-methylenebutanoyloxy)dehydromelitensine
8alpha-Angeloyloxy-1beta,10alpha-epoxy-2alpha,15-dihydroxygermacra-4Z,11(13)-dien-12,6alpha-olide
(1R,6S,7R,8R,10R)-1-hydroxy-8-(4,5-dihydroxytigloyloxy)-4,11(13)-eudesmadien-6,12-olide
9alpha-hydroxy-5-epi-divaricatolide-8-O-<2S,3S-epoxy-2-methylbutyrate>
erythro-Guaiacylglycerol |A-dihydroconiferyl ether
(1S,5S,6R,7R,8S,10S)-5-angeloyloxy-1,8-dihydroxy-2-oxoxantha-3,11-dien-6,12-olide
Gibberellin A17
(1R,5S,6S,7R,8R,10R)-1-hydroxy-8-(4,5-dihydroxytigloyloxy)-3,11(13)-eudesmadien-6,12-olide
2alpha,14-dihydroxy-8beta-(2R,3R)-2,3-epoxyangeloyloxycostunolide
dimerostemmolide-1-O-(2-methyl-2,3-epoxy butyrate)|dimerostemmolide-1-O-<2-methyl-2,3-epoxy butyrate>
8alpha-(3,4-dihydroxy-2-methylenebutanoyloxy)-dehydromelitensin
beta-D-glucopyranosyloxy-3-hydroxy-6(E)-tetradecene-8,10,12-triyne
1alpha-hydroxy-13-deacetyl-9,10Z-dehydro-1,10-dihydromarginatin
8-O-(2-hydroxymethyl-2-propenoyl)-3-hydroxy-13-methoxy-4(15),10(14)-guaiadien-12,6-olide
(-)-samaderine Y|ailanquassin b|ailanqyassin|samaderine Y
9beta-angeloyloxy-14-oxo-4beta,8beta-dihydroxy-guaia-11(13)-en-6,12-olide
(12S)-4,18;15,16-diepoxy-3beta,6beta,12-trihydroxy-neo-cleroda-13(16),14-dien-20,19-olide|3beta-hydroxyteucroxylepin
1-oxo-6beta-tigloyloxy-1,10-dihydro-secomacrotolide
(4??)-form 8-(2-Hydroxymethyl-2E-butenoyl)-1, 8-Dihydroxy-15-oxo-11(13)-eudesmen-12, 6-olide
4,5-dihydro-15beta-[16alpha-(1-methylprop-1Z-enyl)]eremantholide
1(10)E-(3S,4R,5R,7S,8S)-3,4-epoxy-5,14-dihydroxy-15-senecioyloxygermacra-1(10),11(13)-dien-8,12-olide
9-oxo-seco-ratiferolide-5alpha-O-(2-methylbutyrate)
10-Acetoxy-8,9-epoxy-7-isobutyryloxythymol isobutyrate
8-(2,3-Epoxy-2-methylbutanoyl)-1,8-Dihydroxy-9-oxo-4,11(13)-germacradien-12,6-olide
7alpha,9beta-dihydroxy-8beta-(3,4-epoxy-2-methyl butyryloxy)-costunolide|7alpha,9beta-dihydroxy-8beta-<3,4-epoxy-2-methyl butyryloxy>-costunolide
1beta-Hydroperoxyisonobilin|1beta-Hydroperoxyisonobiline
8,10-diacetoxy-2-methoxy-3,11(13)-guaiadiene-12,6-olide
1beta,10beta-Epoxy-6beta-(2-hydroxymethylacryloyloxy)-8beta-methoxyeremophil-7(11)-en-12,8alpha-olide
1-oxo-6beta-senecioyloxy-1,10-dihydro-secomacrotolide
1-(3-Methoxy-4-hydroxyphenyl)-2-[2-hydroxy-3-methoxy-5-(3-hydroxypropyl)phenyl]-1,3-propanediol
(2R,3aS,5aS,8S,10R,10aS,10bS,13R,13aR)-decahydro-2,10,13-trihydroxy-1,1-dimethyl-7-methylidene-5H-5a,8-methano-11H-cyclohepta[c]furo[3,4-e][1]benzopyran-5,6(7H)-dione|6,20-epoxy-3alpha,6beta,11b-trihydroxy-15-oxo-6,7-seco-ent-kaur-16-en-1alpha,7-olide|sculponeatin R
6beta-angeloyloxy-8beta,10beta-dihydroxy-3-oxoeremophilenolide|6??-Angeloyloxy-8??,10??-dihydroxy-3-oxo-eremophilenolide
8beta-hydroxy-(10betaH)-14beta-methyl-6alpha-angeloyloxy eremophil-7(11)-en-8alpha,12-olide-15alpha-oic acid
1alpha-senecioyloxy-2beta,8alpha-dihydroxy-3alpha,4alpha-epoxyeudesm-11(13)-en-6alpha,12-olide
11beta,13beta,15alpha-trihydroxy-6,19:6,20-diepoxy-6,7-seco-ent-kaur-16-en-1alpha,7-olide|sculponin O
threo-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-3-ethoxypropan-1-ol
2beta-hydroxy-1-desoxyniveusin A|2beta-hydroxy-niveusin B
1alpha,11alpha,15beta-trihydroxy-19,20-epoxy-6,7-seco-ent-kaur-16-en-6-al-7,20-olide|sculponin C
7alpha-hydroxy-8-(2,3-epoxy-2-methylbutyryloyloxy)-4,5-epoxy-trans-germacra-1(10)-en-12,6-olide
9alpha-hydroxy-seco-ratiferolide-5alpha-O-angelate
8alpha-Angeloyloxy-1beta,10alpha,4alpha,5beta-bisepoxy-3beta-hydroxygermacr-11(13)-en-12,6alpha-olide
3alpha,15-dihydroxy-3,10-epoxy-8beta-O-methylbutanoyl-1,4,11(13)-germacratrien, 6alpha,12-olide
2alpha-tigloyloxy-3,8-dioxo-11-peroxy-4beta,5beta-epoxybisabola-8(14),9E-diene
16(S)-6beta,11beta-dihydroxy-6,20;12,17-diepoxy-6,7-seco-ent-kaur-15-one-1beta,7-olide|sculponin B
4alpha,10beta-dihydroxy-8alpha-tigloyloxy-2-oxo-6beta,7alphaH,11betaH-1(5)-guaien-12,6alpha-olide
8alpha-tigloyloxy-4alpha-,5alpha-epoxyjalcaguaianolide
8beta-angeloyloxy-5,9beta-dihydroxytrichosalviolide
8alpha-Angeloyloxy-1beta,10alpha-epoxy-2alpha-hydroxy-15-oxo-germacr-11(13)-en-12,6alpha-olide
8alpha-hydroxy-7,11-dehydro-senatractolide-6-O-angelate
1beta,10beta-Epoxy-6beta-(2-methoxymethylacryloyloxy)-8beta-hydroxyeremophil-7(11)-en-12,8alpha-olide
4-iso-dimerostemmolide-1-O-(5-hydroxy angelate)|4-iso-dimerostemmolide-1-O-<5-hydroxy angelate>
(1aR,3S,4R,4aS,5S,8aS,9aS)-2,3,4,4a,5,7,8a,9-octahydro-5,8a-dihydroxy-4,4a,6-trimethyl-7-oxo-1aH-oxireno[2,3:8,8a]naphtho[2,3-b]furan-3-yl (E)-2-methylbut-2-enoate|(1beta,3beta,6beta,8beta,10beta)-3-(angeloyloxy)-1,10-epoxy-6,8-dihydroxyeremophil-7(11)-en-8,12alpha-olide
2,5-epoxy-2beta-hydroxy-4alpha-methoxy-8alpha-(2-methylpropenoyloxy)-10(14),11(13)-germacradien-12,6alpha-olide
2alpha-hydoxy-8-beta-3-hydroxy-2,5-epoxyangeloyloxycostunolide
(1S,5S,6R,7R,8R,9S,10S,11R)-8,9-epoxy-1-hydroxy-2-oxo-5-angeloxyxanth-3-en-6,12-olide
[2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbutanoate
[1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] 3-methylbutanoate
C20H26O7_5-(3-Furyl)-2a,5-dihydroxy-8b-(hydroxymethyl)-7-methyldodecahydrospiro[furan-3,6-naphtho[1,8-bc]furan]-2-one
C20H26O7_(2aR,3R,3R,5R,8S,9aR)-5-(3-Furyl)-3,8-dihydroxy-9a-(hydroxymethyl)-5-methyloctahydro-3H,6aH-spiro[furan-3,6-naphtho[1,8a-b]oxet]-2-one
C20H26O7_Butanoic acid, 2-methyl-, (3aS,6R,7S,8S,8aR)-octahydro-7-hydroxy-6-methyl-3-methylene-2,5-dioxo-7-[(2E)-1-oxo-2-buten-1-yl]-2H-cyclohepta[b]furan-8-yl ester
6-formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl 2-methylbutanoate
(2aR,4S,6R,7R,9R,9aR)-5-(furan-3-yl)-4,9-dihydroxy-2a-(hydroxymethyl)-7-methylspiro[1,3,4,5,5a,7,8,9-octahydronaphtho[1,8a-b]oxete-6,3-oxolane]-2-one
[1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] 3-methylbutanoate [IIN-based: Match]
[1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000848725]
[2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbutanoate [IIN-based on: CCMSLIB00000845895]
[2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbutanoate [IIN-based: Match]
(2aR,4S,6R,7R,9R,9aR)-5-(furan-3-yl)-4,9-dihydroxy-2a-(hydroxymethyl)-7-methylspiro[1,3,4,5,5a,7,8,9-octahydronaphtho[1,8a-b]oxete-6,3-oxolane]-2-one_major
6-formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl 2-methylbutanoate_major
Gibberellin A52
Gibberellin A66
GA125
(1E,4Z,6a,8b,10a)-8-(2-Methylbutanoyloxy)-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide
Gibberellin A99
GA102
1,3-Dihydroxy-1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-methyl-2-butanyl 3-methylbutanoate
5-(3-Furyl)-2a,5-dihydroxy-8b-(hydroxymethyl)-7-methyldodecahydrospiro[furan-3,6-naphtho[1,8-bc]furan]-2-one
4-O-beta-D-glucopyranosyloxy-1-hydroxy-6-(E)-tetradecene-8,10,12-triyne
3-O-beta-D-glucopyranosyloxy-1-hydroxy-6-(E)-tetradecene-8,10,12-triyne
2-O-beta-D-glucopyranosyloxy-1-hydroxy-6-(E)-tetradecene-8,10,12-triyne
4-(4-METHYL-5-(2-(TRIFLUOROMETHYL)PHENYL)-4H-1,2,4-TRIAZOL-3-YL)BICYCLO[2.2.2]OCTANE-1-CARBOXAMIDE
Triptriolide
An abietane diterpenoid with formula C20H26O7, originally isolated from Tripterygium wilfordii.
Threo-1-(4-hydroxy-3-methoxyphenyl)-2-(4-(3-hydroxypropyl)-2-methoxyphenoxy)-1,3-propanediol
[1,3-Dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] 3-methylbutanoate
[2,3-Dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbutanoate
14-Hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
8-Ormyl-6,12-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
8-Ormyl-12,14-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
(1R,2S,3R,4R,6R,8R,9R,12R)-6-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
[(2Z,4S,8R,9R,12S)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (Z)-2-methylbut-2-enoate
(7S,8S)-4,7,9,9-tetrahydroxy-3,3-dimethoxy-8-O-4-neolignan
A natural product found in Acorus gramineus.
Samaderine Y
A quassinoid isolated from Ailanthus malabarica and Quassia indica and has been shown to exhibit cytotoxic activity.
[(3aR,4S,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (3R)-3,4-dihydroxy-2-methylidenebutanoate
(3R,7Z,9R,12S,13R)-13-[(2R)-butan-2-yl]-13-hydroxy-7-(hydroxymethyl)-3,12-dimethyl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione
(3aR,4S,10Z,11aR)-10-(Hydroxymethyl)-6-methyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 3,4-dihydroxy-2-methylenebutanoate
[(6E,10Z)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 3,4-dihydroxy-2-methylidenebutanoate
6-Formyl-5-hydroxy-10-(hydroxymethyl)-3a,4,5,8,9,11a-hexahydro-4-(2-methylbutanoyloxy)-3-methylenecyclodeca[b]furan-2(3H)-one
(1S,2S,4R,5S,7S,9R,10Z,14R,16R,18S)-2,10-dihydroxy-4-methoxy-7,9,16-trimethyl-13,17-dioxapentacyclo[9.5.2.03,14.05,18.014,18]octadec-10-ene-6,12-dione
[(10Z)-6-formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylbutanoate
Gibbane-1,10-dicarboxylic acid, 2,3,5-trihydroxy-4a-(hydroxymethyl)-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,2beta,3beta,4aalpha,4bbeta,5beta,10beta)-
(7R,7R)-4,7,9,9-tetrahydroxy-3,3-dimethoxy-8-O-4-neolignan
A natural product found in Acorus gramineus.
(1s,2s,3r,5r,7r,8s,11s,14r,17s,20r)-3,5,7-trihydroxy-14-methyl-6-methylidene-10,16,18-trioxahexacyclo[12.5.1.1⁵,⁸.0¹,¹¹.0²,⁸.0¹⁷,²⁰]henicosan-9-one
(1r,2r)-1-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propane-1,3-diol
(1s,2z,4r,8r,9r,11r)-1-hydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-2,12-dien-9-yl (2r)-2-methylbutanoate
(1s,2z,4r,8r,9r,11r,12s)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-2-en-9-yl (2z)-2-methylbut-2-enoate
(3ar,4s,5s,11ar)-6-formyl-4-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-5-yl (2r)-2-methylbutanoate
1-hydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-2,12-dien-9-yl 2-methylbutanoate
(1r,3s,5s,7r,9s,10r,14s,16s)-3-methoxy-3,16-dimethyl-8,13-dimethylidene-12-oxo-2,4,11-trioxatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁴]hexadecan-7-yl acetate
(3as,4s,5r,6r,10r,11ar)-5,6-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3ah,4h,5h,10h,11h,11ah-cyclodeca[b]furan-4-yl (2z)-2-methylbut-2-enoate
6-ethenyl-7-(3-hydroxyprop-1-en-2-yl)-5-methyl-3-methylidene-2-oxo-hexahydro-1-benzofuran-4-yl 3,4-dihydroxy-2-methylidenebutanoate
(1s,2s,4s,5r,6s,9s,10s,11r)-2-hydroxy-2,6,11-trimethyl-7-oxo-8,12,13-trioxatetracyclo[9.2.2.0¹,¹⁰.0⁵,⁹]pentadec-14-en-4-yl (2e)-2-methylbut-2-enoate
2-(hydroxymethyl)-6-[(1-hydroxytetradec-6-en-8,10,12-triyn-3-yl)oxy]oxane-3,4,5-triol
(3r,4ar,10as)-6,9-dihydroxy-7-methoxy-3-methyl-3-[(2s)-2-methylbutoxy]-1h,4h,4ah,10ah-naphtho[2,3-c]pyran-5,10-dione
(3as,4r,6r,9s,11as)-6,9-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2e)-2-methylbut-2-enoate
(1s,4r,5r,7s,11r,13s,16s,17s,18s,19r)-4,5,16,17-tetrahydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-9-one
6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6h,7h,8h,9bh-naphtho[1,2-b]furan-4-yl 4-hydroxy-2-(hydroxymethyl)but-2-enoate
6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-(hydroxymethyl)but-2-enoate
(1''r,3s,4''r,5s,5'r,6''r,8''s,12''r)-5-hydroxy-1'',6'',8''-trimethyldispiro[bis(oxolane)-3,2':5',7''-[3]oxatricyclo[6.3.1.0⁴,¹²]dodecane]-2'',3',11''-trione
(3as,4r,5as,6r,9ar,9bs)-6,9a-dihydroxy-5a-methyl-3,9-dimethylidene-2-oxo-hexahydro-3ah-naphtho[1,2-b]furan-4-yl (2s,3s)-2,3-dimethyloxirane-2-carboxylate
7-hydroxy-9-(hydroxymethyl)-4-methyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-2-yl 2-methylbut-2-enoate
5'-(furan-3-yl)-3,4,6-trihydroxy-4a-(hydroxymethyl)-2-methyl-5-methylidene-hexahydro-2h-spiro[naphthalene-1,3'-oxolan]-2'-one
(1s,2s,3r,4s,4ar,5's,8as)-5'-(furan-3-yl)-3,4-dihydroxy-4a,5-bis(hydroxymethyl)-2-methyl-2,3,4,7,8,8a-hexahydrospiro[naphthalene-1,3'-oxolan]-2'-one
(1s,2r,4r,7e,10s,11r)-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-en-10-yl (2e)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
6,9-dihydroxy-7-methoxy-3-methyl-3-(2-methylbutoxy)-1h,4h,4ah,10ah-naphtho[2,3-c]pyran-5,10-dione
(1s,2s,3s,4s,5s,8r,9r,12s)-8-formyl-5,12-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0¹,⁹.0³,⁸]pentadecane-2,4-dicarboxylic acid
6,9-dihydroxy-7-methoxy-3-methyl-3-(3-methylbutoxy)-1h,4h,4ah,10ah-naphtho[2,3-c]pyran-5,10-dione
(1s,2s,4s,5r,6s,7r,8s,10s,12s)-5,6,7-trihydroxy-6-isopropyl-1-methyl-3,9,15-trioxahexacyclo[10.7.0.0²,⁴.0²,⁸.0⁸,¹⁰.0¹³,¹⁷]nonadec-13(17)-en-16-one
6-formyl-5,9-dihydroxy-9-methyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[4,5-b]furan-4-yl 2-methylbut-2-enoate
(1r,2s,3s,5s,8r,9s,11r,16r,18r)-3,9,16,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,10-dione
(3ar,4r,8s,11ar)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2r,3r)-2-(hydroxymethyl)-3-methyloxirane-2-carboxylate
(1r,2r,4r,4ar,5's,7s,8as)-5'-(furan-3-yl)-4,7-dihydroxy-4a,5-bis(hydroxymethyl)-2-methyl-2,3,4,7,8,8a-hexahydrospiro[naphthalene-1,3'-oxolan]-2'-one
3-hydroxy-6,9,10-trimethyl-5-oxo-4,14-dioxatetracyclo[7.5.0.0¹,¹³.0³,⁷]tetradec-6-en-8-yl 2-(methoxymethyl)prop-2-enoate
(1r,2s,4r,6r,7s,9z,11r)-7-hydroxy-9-(hydroxymethyl)-4-methyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-2-yl (2e)-2-methylbut-2-enoate
(3ar,4s,11ar)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2z)-4-hydroxy-2-methylbut-2-enoate
(3ar,4s,5ar,6s,9r,9as,9bs)-4-hydroxy-5a-methyl-3-methylidene-2-oxo-octahydrospiro[naphtho[1,2-b]furan-9,2'-oxiran]-6-yl (2s,3s)-2,3-dimethyloxirane-2-carboxylate
(2r,4r,8s,9s,10r,11r)-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl 3-methylbutanoate
(1r,3s,6z,9r,13r,17r)-17-hydroxy-13-(hydroxymethyl)-1-methyl-9-(prop-1-en-2-yl)-4,16-dioxatricyclo[11.2.1.1³,⁶]heptadec-6-ene-5,11,14-trione
(2ar,3s,5s,5's,6s,6ar,8r,9ar)-5'-(furan-3-yl)-3,8-dihydroxy-9a-(hydroxymethyl)-5-methyl-octahydrospiro[naphtho[1,8a-b]oxete-6,3'-oxolan]-2'-one
5-hydroxy-1'',6'',8''-trimethyldispiro[bis(oxolane)-3,2':5',7''-[3]oxatricyclo[6.3.1.0⁴,¹²]dodecane]-2'',3',11''-trione
(3ar,4r,9r,11as)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2e)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
(1r,2z,4r,8r,9r,11r)-1-hydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-2-en-9-yl (2e)-2-methylbut-2-enoate
9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 4-hydroxy-2-(hydroxymethyl)but-2-enoate
(1s,4s,6r,8r,9r,12s,13s,14r,16s)-6,9,14-trihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecane-2,18-dione
(7z)-13-hydroxy-7-(hydroxymethyl)-3,12-dimethyl-13-(sec-butyl)-10,14,16-trioxatetracyclo[7.5.1.1³,⁶.0¹²,¹⁵]hexadeca-5,7-diene-4,11-dione
5,6-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylbut-2-enoate
(1s,2s,3r,5s,7r,8s,11s,14r,15r,17s,20s)-3,7,15-trihydroxy-14-methyl-6-methylidene-10,16,18-trioxahexacyclo[12.5.1.1⁵,⁸.0¹,¹¹.0²,⁸.0¹⁷,²⁰]henicosan-9-one
(3as,4r,9r,11ar)-9-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2e)-4-hydroxy-2-methylbut-2-enoate
4-hydroxy-5a-methyl-3-methylidene-2-oxo-octahydrospiro[naphtho[1,2-b]furan-9,2'-oxiran]-6-yl 2,3-dimethyloxirane-2-carboxylate
(1s,2s,4r,7r,10r,11r,12r)-4-hydroxy-1,5-dimethyl-9-oxo-8-oxatetracyclo[8.3.1.0²,⁶.0⁷,¹¹]tetradec-5-en-12-yl (3s)-3,4-dihydroxy-2-methylidenebutanoate
5-hydroxy-4,9-dimethyl-13-methylidene-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0²,⁴.0⁷,⁹]pentadecan-11-yl 2-methylbut-2-enoate
(1s,3s,8s,9s,10s,13r)-3-hydroxy-6,9,10-trimethyl-5-oxo-4,14-dioxatetracyclo[7.5.0.0¹,¹³.0³,⁷]tetradec-6-en-8-yl (2z)-2-(hydroxymethyl)but-2-enoate
13,14-epoxide 9,11,12-hydroxytriptolide
{"Ingredient_id": "HBIN000998","Ingredient_name": "13,14-epoxide 9,11,12-hydroxytriptolide","Alias": "NA","Ingredient_formula": "C20H26O7","Ingredient_Smile": "CC(C)C12C(C(C3(C4(CCC5=C(C4CC6C3(C1O2)O6)COC5=O)C)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25789","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
13,14-epoxide 9,11,12-trihydroxytriptolide
{"Ingredient_id": "HBIN000999","Ingredient_name": "13,14-epoxide 9,11,12-trihydroxytriptolide","Alias": "NA","Ingredient_formula": "C20H26O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15274","TCMID_id": "7044","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-(4-hydroxy-3-methoxyphenyl)-2-[4-([omega]hydroxypropyl)-2-methoxyphenoxy]-l,3-propanediol
{"Ingredient_id": "HBIN001473","Ingredient_name": "1-(4-hydroxy-3-methoxyphenyl)-2-[4-([omega]hydroxypropyl)-2-methoxyphenoxy]-l,3-propanediol","Alias": "NA","Ingredient_formula": "C20H26O7","Ingredient_Smile": "COC1=C(C=CC(=C1)CCCO)OC(CO)C(C2=CC(=C(C=C2)O)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41929","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-(4-hydroxy-3-methoxyphenyl-2-[4-(ω-hydroxypropyl)-2-methoxyphenoxy]propane-1,3-diol
{"Ingredient_id": "HBIN001475","Ingredient_name": "1-(4-hydroxy-3-methoxyphenyl-2-[4-(\u03c9-hydroxypropyl)-2-methoxyphenoxy]propane-1,3-diol","Alias": "NA","Ingredient_formula": "C20H26O7","Ingredient_Smile": "COC1=C(C=CC(=C1)CCCO)OC(CO)C(C2=CC(=C(C=C2)O)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10448","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-deacetyleupalinin a
{"Ingredient_id": "HBIN008413","Ingredient_name": "3-deacetyleupalinin a","Alias": "NA","Ingredient_formula": "C20H26O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4737","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6β-angeloyloxy-8β,10β-dihydroxy-3-oxo-eremophilenolide
{"Ingredient_id": "HBIN012259","Ingredient_name": "6\u03b2-angeloyloxy-8\u03b2,10\u03b2-dihydroxy-3-oxo-eremophilenolide","Alias": "NA","Ingredient_formula": "C20H26O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1218","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8,10-diacetoxy-2-methoxy-3,11(13)-guaiadiene-12,6-olide
{"Ingredient_id": "HBIN013505","Ingredient_name": "8,10-diacetoxy-2-methoxy-3,11(13)-guaiadiene-12,6-olide","Alias": "NA","Ingredient_formula": "C20H26O7","Ingredient_Smile": "CC1=CC(C2C1C3C(C(CC2(C)OC(=O)C)OC(=O)C)C(=C)C(=O)O3)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5313","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8α-angeloxy-1β,2β:4β,5β-diepoxy-10β-hydroxy-6βh,7αh,11βh-12,6α-guaianolide
{"Ingredient_id": "HBIN013620","Ingredient_name": "8\u03b1-angeloxy-1\u03b2,2\u03b2:4\u03b2,5\u03b2-diepoxy-10\u03b2-hydroxy-6\u03b2h,7\u03b1h,11\u03b2h-12,6\u03b1-guaianolide","Alias": "NA","Ingredient_formula": "C20H26O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1201","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8α-angeloxy-4α,10β-dihydroxy-2-oxo-6βh,7αh,11βh-1(5)-guaien-12,6α-olide
{"Ingredient_id": "HBIN013622","Ingredient_name": "8\u03b1-angeloxy-4\u03b1,10\u03b2-dihydroxy-2-oxo-6\u03b2h,7\u03b1h,11\u03b2h-1(5)-guaien-12,6\u03b1-olide","Alias": "NA","Ingredient_formula": "C20H26O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1202","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8β-(4'-hydroxytigloyloxy)-3β,14-dihydroxy-6βh,7αh-germacra-1(10)z,4 e,-11(13)-trien-6,12-olide
{"Ingredient_id": "HBIN013652","Ingredient_name": "8\u03b2-(4'-hydroxytigloyloxy)-3\u03b2,14-dihydroxy-6\u03b2h,7\u03b1h-germacra-1(10)z,4 e,-11(13)-trien-6,12-olide","Alias": "NA","Ingredient_formula": "C20H26O7","Ingredient_Smile": "CC1=CC2C(C(CC(=CCC1O)CO)OC(=O)C(=CCO)C)C(=C)C(=O)O2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10765","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
angelol c
{"Ingredient_id": "HBIN016102","Ingredient_name": "angelol c","Alias": "NA","Ingredient_formula": "C20H26O7","Ingredient_Smile": "CCC(C)C(=O)OC(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)C(C)(C)O","Ingredient_weight": "378.42","OB_score": "NA","CAS_id": "83199-40-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6783","PubChem_id": "23259941","DrugBank_id": "NA"}
angelol e
{"Ingredient_id": "HBIN016104","Ingredient_name": "angelol e","Alias": "NA","Ingredient_formula": "C20H26O7","Ingredient_Smile": "NA","Ingredient_weight": "378.42","OB_score": "NA","CAS_id": "83156-03-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6781","PubChem_id": "NA","DrugBank_id": "NA"}
angelol f
{"Ingredient_id": "HBIN016105","Ingredient_name": "angelol f","Alias": "NA","Ingredient_formula": "C20H26O7","Ingredient_Smile": "NA","Ingredient_weight": "378.42","OB_score": "NA","CAS_id": "83156-02-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6780","PubChem_id": "NA","DrugBank_id": "NA"}