Exact Mass: 330.1970124
Exact Mass Matches: 330.1970124
Found 500 metabolites which its exact mass value is equals to given mass value 330.1970124
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Leucomalachite green
D004396 - Coloring Agents > D012394 - Rosaniline Dyes
Chembl4513510
C19H26N2O3 (330.19433260000005)
[4S-(4alpha,4aalpha,5alpha)]-4,4a,5,6,7,9-Hexahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methylbutanoic acid
[4R-(4alpha,4aalpha,5beta)]-4,4a,5,6,7,9-Hexahydro-5-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 3-methyl-2-butenoic acid
[1aR-(1aalpha,4beta,4abeta,5beta,9aS*)]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 3-methyl-2-butenoic acid
8alpha-Isovaleryloxygazaniolide
3-(4-Geranyloxy-3-methoxyphenyl)-2-trans propenoic acid
11,12-Dihydroxy-6,8,11,13-abietatetraen-20-oic acid
Leucomalachite green
D004396 - Coloring Agents > D012394 - Rosaniline Dyes CONFIDENCE standard compound; INTERNAL_ID 910; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8772; ORIGINAL_PRECURSOR_SCAN_NO 8771 CONFIDENCE standard compound; INTERNAL_ID 910; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8808; ORIGINAL_PRECURSOR_SCAN_NO 8807 CONFIDENCE standard compound; INTERNAL_ID 910; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8818; ORIGINAL_PRECURSOR_SCAN_NO 8817 CONFIDENCE standard compound; INTERNAL_ID 910; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8854; ORIGINAL_PRECURSOR_SCAN_NO 8853 CONFIDENCE standard compound; INTERNAL_ID 910; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8860; ORIGINAL_PRECURSOR_SCAN_NO 8858 CONFIDENCE standard compound; INTERNAL_ID 910; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8868; ORIGINAL_PRECURSOR_SCAN_NO 8867 CONFIDENCE standard compound; INTERNAL_ID 5657
N-(1-Amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
ascr#17
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,10R)-10-hydroxyundec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. CONFIDENCE standard compound; INTERNAL_ID 102 INTERNAL_ID 102; CONFIDENCE standard compound
3-(5-hydroxyprenyl)-5-prenyl-7E-p-coumaric acid|3-<5-hydroxyprenyl>-5-prenyl-7E-p-coumaric acid
5b,6-epoxydecahydro-7-hydroxy-3-isopropyl-3a,5a-dimethyl-8-methylene-4H-pentaleno[1,6a-a]pentalene-4,5(5aH)-dione|crinipellin C|rel-(1aR,2S,3aR,4aR,7R,7aR,9aS,9bR)-octahydro-2-hydroxy-7a,9a-dimethyl-3-methylene-7-(1-methylethyl)-3H,8H-pentaleno[6a,1: 5,6]pentaleno[1,6a-b]oxirene-8,9(9aH)-dione
8beta,12:15,16-diepoxy-cis-ent-cleroda-13(16),14-dien-18alpha,6alpha-olide
6,12-dihydroxyabieta-5,8,11,13-tetraene-7-one|fortunin F
(-)-10,13-dihydroxy-9-methyl-15-oxo-20-norkaur-16-en-18-ioc acid, gamma-lactone|13-hydroxy-15-oxozoapatlin
11-furan-2-yl-9-hydroxy-dodecahydro-7,14-methano-dipyrido[1,2-a;1,2-e][1,5]diazocin-4-one
C19H26N2O3 (330.19433260000005)
(15R)-12,16-epoxy-11,14-dihydroxy-8,11,13-abietatrien-7-one|hyptol
2,19;15,16-Diepoxy-neo-clerodan-3,13(16),14-trien-18-oic acid
(1R*,2R*,3R*,6R*,7R*)1,2,3,6,7-Pentahydroxy-1-acetoxy-bisabol-10(11)-ene|rel-(1R*,2R*,3R*,6R*,7R*)-2,3,6,7-tetrahydroxy-1-acetoxy-bisabol-10(11)-ene
(-)-cis-cleroda-1,3,13-trien-15,18-dioic acid-15,16-olide
2-Methoxy-6-(2-methoxy-4-propylphenoxy)-4-propylphenol
(-)-(4S,5S,8R,10R)-8,18-dihydroxy-12-oxo-abieta-9(11),13-dien-20-oic acid 18,20-lactone
An abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
15,16-epoxy-6alpha-hydroxy-cleroda-3,4,13(16),14-trien-12,10alpha,19-acetal|parvitexin C
6beta-tigloyloxy-furanoeremophil-1(10)-en-3beta-ol
ent-7-Oxo-6,7-secokaur-16-en-6,19-dicarbonsaeureanhydrid|Fujenal
8,9;15,16-Diepoxy-11-oxo-12-cleistanthen-17-al-(ent-8alpha,9alpha,14alphaH)-form
3-(5-methoxyprenyl)-5-prenyl-7E-p-coumaric acid|3-<5-methoxyprenyl>-5-prenyl-7E-p-coumaric acid
(-)-15,16-epoxy-cis-cleroda-1,13(16),14-trien-12-hydroxy-18-oic acid-18,6alpha-olide
6-Ketone-(2alpha,6alpha)-2,6,11-Trihydroxy-7,9(11),13-abietatrien-12-one
6-Angloyl-(6beta,9beta)-Furanoeremophil-1(10)-ene-6,9-diol
11alpha-hydroxy-3-(1-hydroxy-1-methylethyl)-13beta-isopropyl-5-methyl-1,2,3beta,11,13,14beta-hexahydro-13,14-oxacyclopropa[a]phenalen-12-one|proinoid A
12(S)-hydroxy-15,16-epoxy-8(17),13(16),14-ent-labdatrien-20,19-olide
(+)-(5S,6S,7S,10R)-6,7,12-trihydroxyabieta-8,11,13-trien-20-oic acid 6,20-lactone
6,12,15-trihydroxy-5,8,11,13-abietatetraen-7-one|6,12,15-trihydroxy-5,8,11,13-abietatetraene-7-one|6,12,15-trihydroxy-5,8,11,13-abietetriene-7-one
2,3-Dihydroxy-17beta-acetoxy-oestratrien-(1,3,5(10))|2-Hydroxy-oestradiol-monoacetat-(17beta)|Oestra-1,3,5(10)-trien-2,3,17beta-triol-17-acetat
3-Ac-(16alpha,17betaOH)-Estra-1,3,5(10)-triene-3,16,17-triol
7alpha-17(15-16)-Abeo-7,12-dihydroxy-8,12,16-abietatriene-11,14-dione
(7R,8R)-7-hydroxy-7-methyl-8-(2-oxoheptyl)-3-((E)-prop-1-enyl)-7,8-dihydro-6H-isochromen-6-one|monapurone A
(1E,6E)-xenica-1(9),6,13-triene-17,18:19,18-diolide
6beta-(2-methylbutanoyloxy)-9-oxo-1(10)-furanoeremophilene
(1R*,2R*,3R*,6R*,7R*)1,2,3,6,7-Pentahydroxy-2-acetoxy-bisabol-10(11)-ene|rel-(1R*,2R*,3R*,6R*,7R*)-1,3,6,7-tetrahydroxy-2-acetoxy-bisabol-10(11)-ene
1beta,12:15,16-diepoxy-cis-ent-cleroda-13(16),14-dien-18alpha,6alpha-olide
15-Ac-(15alpha,17beta)-Estra-1,3,5(10)-triene-3,15,17-triol
8,12-epoxy-2-[(senecioyl)oxy]eremophil-7,11-dien-9-one
1beta-senecioyloxy-5betaH,6alphaH,7alphaH,10alphaMe,11alphaH-eudesma-2,4(15)-dien-6,12-olide
(5S*,8S*,9R*,10S*)-11beta,12beta-epoxy-9alpha-hydroxy-19(4->3)abeo-abieta-3,13-diene-19,18-olide
jatrophodione A|rel-(1aR,3aR,7azeta,9S,9aS,9bR)-1a,2,3,3a,7a,9,9a,9b-octahydro-9-hydroxy-1,1,3a,6,9-pentamethyl-1H-cyclopropa[3,4]benz[1,2-f]azulene-5,8-dione
1,10a-Dihydroxy-3a,8,10b-trimethyl-8-vinyl-2,3,3a,4,9,10,10a,10b-octahydro-1H-phenanthro[10,1-bc]furan-6(8H)-one
13-hydroxy-14-isopropyl-7-oxo-8,11,13-podocarpatrien-19-oic acid|inumakiol G
mkapwanin|neo-clerodan-3,13-dien-16,15:18,19-diolide
(1S*,2S*,12R*,13R*,3E,7E)-12,13-epoxy-11-oxocembra-3,7,15(17)-trien-16,2-olide|crassocolide N
3,4,15,16-diepoxy-cleroda-13(16),14-diene-12,17-olide
2alpha,7alpha-dihydroxydihydrovoaphylline
C19H26N2O3 (330.19433260000005)
ent-11,12-dihydroxyabieta-7-oxo-8,11,13-trien-15-ol
12-hydroxy-7-oxo-dehydroabietic acid|liquiditerpenoic acid A
13-hydroxy-12-isopropyl-8,11,13-podocaratrien-18-oic acid|liquiditerpenoic acid B
(2-methylbutyryloxy)-isovaleryloxy-dehydrocostus|<2-methylbutyryloxy>-isovaleryloxy-dehydrocostus
5-alpha-Hydroxy-1,2-dehydro-5,10-dihydroprintzianic acid
3-Ac-(1R*,2R*,3R*,6R*,7R*)-10-Bisabolene-1,2,3,6,7-pentol
(1S,2S,3S,6E,7S,9R,10S,13R)-13-ethenyl-6-ethylidene-1,9,12,12-tetramethyl-4,8-dioxatetracyclo[8.3.1.02,9.03,7]tetradecane-5,11-dione|Pallavicinin
4-Me ether-(alphaE)-3-(10-Hydroxygeranyl)-p-coumaric acid
3,12-dioxo-15,16-epoxy-cleroda-13(16),14-dien-9-al
1,1-Dimethyl-5,6-dihydroxy-7-isopropyl-1,2,3,4,4a,10a-hexahydrophenanthrene-4a-carboxylic acid
3,4,18beta-cyclopropa-8beta-hydroxy-14-oxo-ent-abiet-13,15-en-16,12-olide|retusolide A
6beta-<2-methyl-2-vinylacetoxy>-furoeremophil-9-one
1,14-dioxo-4-hydroxycyatha-2,11-diene-12-carbaldehyde|cyrneine D
19-hydroxy-3-oxo-ent-labda-8(17),11,13-trien-16,15-olide
3-(2,5-dihydroxy-6-methyl-3-propan-2-ylphenyl)-2-methyl-5-propan-2-ylbenzene-1,4-diol
C20H26O4_2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, (2E)
(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
7-[2-(furan-3-yl)ethyl]-5-hydroxy-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one
(6E,10Z,14E)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid
(1R,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
(1R,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid_major
7-[2-(furan-3-yl)ethyl]-5-hydroxy-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one_major
(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate_major
Ala Ala Ala Val
Ala Ala Gly Ile
Ala Ala Gly Leu
Ala Ala Ile Gly
Ala Ala Leu Gly
Ala Ala Val Ala
Ala Gly Ala Ile
Ala Gly Ala Leu
Ala Gly Ile Ala
Ala Gly Leu Ala
Ala Ile Ala Gly
Ala Ile Gly Ala
Ala Leu Ala Gly
Ala Leu Gly Ala
Ala Val Ala Ala
Gly Ala Ala Ile
Gly Ala Ala Leu
Gly Ala Ile Ala
Gly Ala Leu Ala
Gly Gly Val Val
Gly Ile Ala Ala
Gly Leu Ala Ala
Gly Val Gly Val
Gly Val Val Gly
Ile Ala Ala Gly
Ile Ala Gly Ala
Ile Gly Ala Ala
Leu Ala Ala Gly
Leu Ala Gly Ala
Leu Gly Ala Ala
Val Ala Ala Ala
Val Gly Gly Val
Val Gly Val Gly
Val Val Gly Gly
4,4-(2,3-Dimethyl-1,4-butanediyl)bis(2-methoxyphenol)
Momilacton b
3,3,4,4-Tetrahydroxy-5,5-diisopropyl-2,2-dimethylbiphenyl
7-[2-(3-Furyl)ethyl]-5-hydroxy-7,8-dimethyl-6,6a,7,8,9,10-hexahydronaphtho[1,8a-c]furan-3(5H)-one
6-[(2E,6E)-7-(5-Hydroxy-3-methyl-2-oxo-3-cyclopenten-1-yl)-6-methyl-2,6-heptadien-2-yl]-3-methyl-5,6-dihydro-2H-pyran-2-one
FAL 24:11
oscr#17
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-11-hydroxyundec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
TERT-BUTYL 4-(BENZYLOXYMETHYL)-4-CYANOPIPERIDINE-1-CARBOXYLATE
C19H26N2O3 (330.19433260000005)
Tert-Butyl 2-Benzyl-1-Oxo-2,7-Diazaspiro[3.5]Nonane-7-Carboxylate
C19H26N2O3 (330.19433260000005)
tert-butyl 7-benzyl-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
C19H26N2O3 (330.19433260000005)
TERT-BUTYL 2-BENZYL-1-OXO-2,6-DIAZASPIRO[3.5]NONANE-6-CARBOXYLATE
C19H26N2O3 (330.19433260000005)
tert-butyl 4-(cyanomethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate
C19H26N2O3 (330.19433260000005)
1-PIPERIDINECARBOXYLIC ACID, 4-(5-METHOXY-1H-INDOL-3-YL)-, 1,1-DIMETHYLETHYL ESTER
C19H26N2O3 (330.19433260000005)
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclopentyl-N-propyl- (9CI)
C18H26N4S (330.18780760000004)
ASP 9521
C19H26N2O3 (330.19433260000005)
C471 - Enzyme Inhibitor
Sulfuric acid, mono-C12-18-alkyl esters, sodium salts
3,3,5,5-Tetramethyl-4,4’-di(2-hydoxethanyoxy)-bibenzene
6-(3,5-Dimethylbenzyl)-1-ethoxymethyl-5-isopropyluracil
C19H26N2O3 (330.19433260000005)
Lobohedleolide
A cembrane diterpenoid isolated from Lobophytum hedleyi and Lobophytum. It exhibits anti-HIV-1 activity.
hedychilactone D
A labdane diterpenoid that is 7,11,13-labdatrien-16,15-olide substituted by a hydroxy group at position 7 and an oxo group at position 6. Isolated from the rhizomes of Hedychium spicatum, it exhibits cytotoxicity against the Colo-205 (Colo-cancer), A-431 (skin cancer), MCF-7 (breast cancer), A-549 (lung cancer) and Chinese hamster ovary cells (CHO).
2-{[(R)-{[4-(aminomethyl)phenyl]amino}{[(1R)-1-phenylethyl]amino}methyl]amino}ethane-1,1-diol
3-(2,5-Dihydroxy-6-methyl-3-propan-2-ylphenyl)-2-methyl-5-propan-2-ylbenzene-1,4-diol
6,14-Dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid
1-(4-Hydroxy-3-methoxyphenyl)-7-phenylheptane-3,5-diol
(2E,10R)-10-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]undec-2-enoic acid
(2E)-11-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]undec-2-enoic acid
3-Hydroxy-3,20:6,18-diepoxypimara-7,15-dien-18-one
(1R,2R,5R,8R,9S,10S,11S)-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid
(E)-7-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)hept-5-ene-2,4-dione
[3-carboxy-2-[(E)-8-carboxyoct-5-enoyl]oxypropyl]-trimethylazanium
C16H28NO6+ (330.19165280000004)
[3-carboxy-2-[(E)-8-carboxyoct-6-enoyl]oxypropyl]-trimethylazanium
C16H28NO6+ (330.19165280000004)
[3-carboxy-2-[(E)-8-carboxyoct-2-enoyl]oxypropyl]-trimethylazanium
C16H28NO6+ (330.19165280000004)
(-)-(5S,6S,7S,10R)-6,7,12-trihydroxyabieta-8,11,13-trien-20-oic acid 6,20-lactone
An abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
(+)-(5S,6S,7R,10R)-6,7,12-trihydroxyabieta-8,11,13-trien-20-oic acid 6,20-lactone
An abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
4-(1-naphthylmethyl)-N-(3-pyridinylmethylene)-1-piperazinamine
(E,10R)-10-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyundec-2-enoic acid
N-cycloheptyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide
C19H26N2O3 (330.19433260000005)
N-[[(2S,3S,4S)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]propanamide
C19H26N2O3 (330.19433260000005)
N-[[(2R,3R,4R)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]propanamide
C19H26N2O3 (330.19433260000005)
N-[[(2S,3R,4S)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]propanamide
C19H26N2O3 (330.19433260000005)
N-[[(2R,3R,4S)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]propanamide
C19H26N2O3 (330.19433260000005)
N-[[(2S,3R,4R)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]propanamide
C19H26N2O3 (330.19433260000005)
N-[[(2S,3S,4R)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]propanamide
C19H26N2O3 (330.19433260000005)
N-[[(2R,3S,4S)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]propanamide
C19H26N2O3 (330.19433260000005)
N-[[(2R,3S,4R)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]propanamide
C19H26N2O3 (330.19433260000005)
(1R,3S)-3-(adamantan-1-yl)-1-(ammoniomethyl)-3,4-dihydroisochromene-5,6-diol(1+)
C20H28NO3+ (330.20690780000007)
(2E,4E,6E,8E)-9-[2-(hydroxymethyl)-6,6-dimethyl-3-oxocyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
(2E,4E,6E,8E)-9-[6-(hydroxymethyl)-2,6-dimethyl-3-oxocyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
(3aS,6Z,10E,14E,15aS)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid
(3aS,6E,10E,14Z,15aS)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid
(10E,14E)-6,7-Epoxy-6,10,14-trimethyl-3-methylene-3A,6,7,8,9,12,13,15A-octahydrocyclotetradeca(B)furan-2(3H),5(4H)-dione
(1s,2r,5s,8s,9s,10s,11s)-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.1⁵,⁸.0¹,¹⁰.0²,⁸]octadecane-9-carboxylic acid
6,14-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,12h,13h,15ah-cyclotetradeca[b]furan-10-carboxylic acid
(5r)-4-[(1e)-2-[(1s,4as,8ar)-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1h-naphthalen-1-yl]ethenyl]-5-hydroxy-5h-furan-2-one
(4s,4ar,5s,8ar)-3,4a,5-trimethyl-9-oxo-4h,5h,6h,7h,8h,8ah-naphtho[2,3-b]furan-4-yl (2z)-2-methylbut-2-enoate
methyl (2e)-3-(4-{[(2e,5r)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)prop-2-enoate
(3ar,4r,11ar)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2z)-2-methylbut-2-enoate
6,10b-dihydroxy-1-isopropyl-3a,5a-dimethyl-3-oxo-4h,5h,6h,7h-cyclohepta[e]indene-8-carbaldehyde
1,4-dihydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a-tetrahydrophenanthrene-3,9-dione
(4z,4as,11ar)-4-[(2e)-4-hydroxy-4-methylpent-2-en-1-ylidene]-7-methyl-11-methylidene-1h,4ah,5h,6h,10h,11ah-cyclonona[c]pyran-3,9-dione
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2h-phenanthrene-1-carboxylic acid
3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-5-yl 2-methylbutanoate
2-(hydroxymethyl)-3-(2-hydroxypropyl)-1'-methyl-8-azaspiro[bicyclo[3.2.1]octane-6,3'-indol]-2'-one
C19H26N2O3 (330.19433260000005)
5-[(1r,8ar)-7,8,8a-trihydroxy-6-isopropyl-2-methyl-1h-naphthalen-1-yl]-2-methylpent-1-en-3-one
3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-8-yl 2-methylbutanoate
14-hydroxy-13-isopropyl-2,6,6-trimethyl-9-oxatricyclo[9.4.0.0²,⁷]pentadeca-1(11),12,14-triene-8,10-dione
5-ethenyl-9-hydroxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadec-6-ene-8,15-dione
5-hydroxy-2,2,8-trimethyl-8-(3-methylbut-2-en-1-yl)-6-propanoylchromen-7-one
(1s,4as,10ar)-7-isopropyl-1,4a-dimethyl-5,8-dioxo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
(1r,8s,10s)-4-hydroxy-5-isopropyl-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),4-diene-3,6-dione
5'-(furan-3-yl)-1-(hydroxymethyl)-1,5,7a-trimethyl-2,5,6,7-tetrahydrospiro[indene-4,3'-oxolan]-2'-one
(2e)-3-{3-[(2z)-4-hydroxy-3-(4-methylpent-3-en-1-yl)but-2-en-1-yl]-4-methoxyphenyl}prop-2-enoic acid
(4r,4ar,5s,8ar)-3,4a,5-trimethyl-8-oxo-4h,5h,6h,7h,8ah,9h-naphtho[2,3-b]furan-4-yl 2-methylbut-2-enoate
(4ar,5r,6s,8as)-3,4a,5-trimethyl-9-oxo-4h,5h,6h,7h,8h,8ah-naphtho[2,3-b]furan-6-yl (2z)-2-methylbut-2-enoate
4-hydroxy-3,4a,5-trimethyl-4h,5h,6h,7h,9h-naphtho[2,3-b]furan-6-yl 3-methylbut-2-enoate
10a-hydroxy-7-isopropyl-1,4a-dimethyl-4-oxo-2,3,9,10-tetrahydrophenanthrene-1-carboxylic acid
6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.0¹,¹³.0³,⁷]tetradeca-3(7),5-dien-8-yl 2-methylbut-2-enoate
(4ar)-6,10-dihydroxy-7-(2-hydroxypropan-2-yl)-1,1,4a-trimethyl-3,4-dihydro-2h-phenanthren-9-one
(4ar,5s,6r,8as)-5-[2-(furan-3-yl)ethyl]-8a-(hydroxymethyl)-5,6-dimethyl-4a,6,7,8-tetrahydronaphthalene-1-carboxylic acid
6,10-dihydroxy-1-(hydroxymethyl)-7-isopropyl-1,4a-dimethyl-3,4-dihydro-2h-phenanthren-9-one
(1s,4as,10ar)-7-hydroxy-8-isopropyl-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2h-phenanthrene-1-carboxylic acid
11,12- dihydroxy- 8,11,13- abietrien- 7-one
{"Ingredient_id": "HBIN000254","Ingredient_name": "11,12- dihydroxy- 8,11,13- abietrien- 7-one","Alias": "NA","Ingredient_formula": "C20H26O4","Ingredient_Smile": "CC(C)C1=C(C(=C2C(=C1)C(=O)CC3C2(CCC(=O)C3(C)C)C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42937","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
12(s)-hydroxy-15,16-epoxy-8(17),13(16),14-ent-labdatrien-20,19-olide
{"Ingredient_id": "HBIN000980","Ingredient_name": "12(s)-hydroxy-15,16-epoxy-8(17),13(16),14-ent-labdatrien-20,19-olide","Alias": "NA","Ingredient_formula": "C20H26O4","Ingredient_Smile": "CC12CCCC3(C1CCC(=C)C3CC(C4=COC=C4)O)C(=O)OC2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10086","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-3,5-heptanediol
{"Ingredient_id": "HBIN001485","Ingredient_name": "1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-3,5-heptanediol","Alias": "NA","Ingredient_formula": "C20H26O4","Ingredient_Smile": "COC1=C(C=CC(=C1)CCC(CC(CCC2=CC=CC=C2)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10449","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1r*,2r*,3r*,6r*,7r*)1,2,3,6,7-pentahydroxy-1-acetoxy-bisabol-10(11)-ene
{"Ingredient_id": "HBIN003039","Ingredient_name": "(1r*,2r*,3r*,6r*,7r*)1,2,3,6,7-pentahydroxy-1-acetoxy-bisabol-10(11)-ene","Alias": "NA","Ingredient_formula": "C17H30O6","Ingredient_Smile": "CC(=CCCC(C)(C1(CCC(C(C1OC(=O)C)O)(C)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16824","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1r*,2r*,3r*,6r*,7r*)1,2,3,6,7-pentahydroxy-2-acetoxy-bisabol-10(11)-ene
{"Ingredient_id": "HBIN003040","Ingredient_name": "(1r*,2r*,3r*,6r*,7r*)1,2,3,6,7-pentahydroxy-2-acetoxy-bisabol-10(11)-ene","Alias": "NA","Ingredient_formula": "C17H30O6","Ingredient_Smile": "CC(=CCCC(C)(C1(CCC(C(C1O)OC(=O)C)(C)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16825","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,19;15,16-diepoxy-neo-clerodan-3,13(16),14-trien-18-oicacid
{"Ingredient_id": "HBIN003534","Ingredient_name": "2,19;15,16-diepoxy-neo-clerodan-3,13(16),14-trien-18-oicacid","Alias": "NA","Ingredient_formula": "C20H26O4","Ingredient_Smile": "CC1CCC23COC(CC2C1(C)CCC4=COC=C4)C=C3C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5496","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alstonoxine b
C19H26N2O3 (330.19433260000005)
{"Ingredient_id": "HBIN015775","Ingredient_name": "alstonoxine b","Alias": "NA","Ingredient_formula": "C19H26N2O3","Ingredient_Smile": "CC(CC1CC2C3(CC(C1CO)N2)C4=CC=CC=C4N(C3=O)C)O","Ingredient_weight": "330.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1004","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15884899","DrugBank_id": "NA"}
(3as,5ar,6s)-8-formyl-6-hydroxy-1-isopropyl-5a-methyl-2h,3h,4h,5h,6h,7h-cyclohepta[e]indene-3a-carboxylic acid
(1r,2e,6r,10s,12s,14r,15s)-3,7,7,10,14-pentamethyl-16-oxatetracyclo[10.4.0.0¹,¹⁵.0⁶,¹⁰]hexadec-2-ene-4,9,11-trione
14-hydroxy-2,2,5,9,13-pentamethyl-16-oxapentacyclo[11.2.1.0¹,³.0⁷,¹¹.0⁷,¹⁵]hexadec-11-ene-6,10-dione
(1r,2s,4r)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(4ar,5r,6r,8ar)-3,4a,5-trimethyl-9-oxo-4h,5h,6h,7h,8h,8ah-naphtho[2,3-b]furan-6-yl 3-methylbut-2-enoate
4,9,10-trihydroxy-2-isopropyl-4b,8,8-trimethyl-6,7-dihydro-5h-phenanthren-3-one
3,4a,5-trimethyl-2-oxo-4h,5h,6h,7h,9h,9ah-naphtho[2,3-b]furan-4-yl 2-methylbut-2-enoate
(4as,9r,9as)-8-hydroxy-7-isopropyl-1,1,4a-trimethyl-5,6-dioxo-3,4,9,9a-tetrahydro-2h-fluorene-9-carbaldehyde
3-[6-isopropyl-1-methyl-5,8-dioxo-2-(prop-1-en-2-yl)-3,4-dihydro-2h-naphthalen-1-yl]propanoic acid
9-[2-(furan-3-yl)ethyl]-4-hydroxy-9,10,12-trimethyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodec-5-en-3-one
3,10-dihydroxy-4b,8,8-trimethyl-2-(prop-1-en-2-yl)-5,6,7,8a,9,10-hexahydrophenanthrene-1,4-dione
(3ar,4s,5ar,9as,9br)-5a,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,9ah,9bh-naphtho[1,2-b]furan-4-yl 3-methylbutanoate
3-[(1e)-2-[(4as,8ar)-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1h-naphthalen-1-yl]ethenyl]-5-hydroxy-5h-furan-2-one
(4as,10as)-5,6-dihydroxy-7-isopropyl-1,1,4a-trimethyl-2,3,4,10a-tetrahydrophenanthrene-9,10-dione
3-{2-[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-6-oxo-hexahydronaphthalen-1-yl]ethenyl}-5h-furan-2-one
(3as,5r,6ar,9ar,9bs)-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-5-yl (2r)-2-methylbutanoate
1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
3-[(1s,2s)-6-isopropyl-1-methyl-5,8-dioxo-2-(prop-1-en-2-yl)-3,4-dihydro-2h-naphthalen-1-yl]propanoic acid
5-[(2s,3r)-4-(3-hydroxy-4-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
3-{2-[(6as,7r,8r,10as)-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]ethyl}-5h-furan-2-one
(1s,4r,8r,9s,10r,12r)-9-[2-(furan-3-yl)-2-oxoethyl]-9,10,12-trimethyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodecan-3-one
(4ar,5s,7s,8ar)-3,4a,5-trimethyl-9-oxo-4h,5h,6h,7h,8h,8ah-naphtho[2,3-b]furan-7-yl 2-methylbut-2-enoate
(1s,4s,12r,13r,14s,16r,17s)-16-(hydroxymethyl)-12-methyl-8,15-dioxahexacyclo[14.2.1.1¹⁴,¹⁷.0¹,¹³.0⁴,¹².0⁵,⁹]icos-5(9)-en-10-one
6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-5-yl 2-methylbut-2-enoate
11-hydroxy-2,7,14-trimethyl-16-oxapentacyclo[9.7.0.0²,⁸.0⁵,⁷.0¹³,¹⁷]octadec-13-ene-12,15-dione
7-[2-(furan-3-yl)-2-hydroxyethyl]-7,8-dimethyl-2h,5h,6h,6ah,8h,9h,10h-naphtho[4a,4-b]furan-3-one
(4s,4as,6ar,7s,11as,11bs)-4,7,11b-trimethyl-9-oxo-1h,2h,3h,4ah,5h,6h,6ah,7h,11ah-phenanthro[3,2-b]furan-4-carboxylic acid
(6ar,7s,8r,10as)-7-[(2r)-2-(furan-3-yl)-2-hydroxyethyl]-7,8-dimethyl-2h,5h,6h,6ah,8h,9h,10h-naphtho[4a,4-b]furan-3-one
(1ar,1bs,2s,3as,7ar,7bs,9ar)-9a-ethynyl-2-hydroxy-4,4,7a-trimethyl-9-oxo-octahydro-1bh-phenanthro[1,2-b]oxirene-1a-carbaldehyde
(1s,4ar,5s,8ar)-5-[2-(furan-3-yl)-2-oxoethyl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid
2-{6-isopropyl-3a,5a-dimethyl-2,8-dioxo-3h,4h,5h,6h,7h-azuleno[5,6-b]furan-9a-yl}prop-2-enal
7,11-dihydroxy-4,4,9,11b-tetramethyl-1h,2h,3h,4ah,5h,8h,9h-phenanthro[3,2-b]furan-6-one
5-methyl-2-[(2r)-6-methylhept-5-en-2-yl]-3,6-dioxocyclohexa-1,4-dien-1-yl (2z)-2-methylbut-2-enoate
(4s,4as,6as,11as,11br)-4-(hydroxymethyl)-11b-methyl-7-methylidene-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-4-carboxylic acid
(1r,7r,10s,11s)-7-hydroxy-5-isopropyl-11-methyl-13-oxatetracyclo[9.3.3.0¹,¹⁰.0²,⁷]heptadeca-2,5-diene-4,14-dione
(1s,3r,8s,10s,11r,16s)-5,11,15,15-tetramethyl-2,7-dioxapentacyclo[8.8.0.0¹,³.0⁴,⁸.0¹¹,¹⁶]octadec-4-ene-6,14-dione
(3ar,6s,8ar,9ar)-5,8a-dimethyl-3-methylidene-2-oxo-3ah,4h,6h,7h,8h,9h,9ah-naphtho[2,3-b]furan-6-yl (2z)-2-methylbut-2-enoate
(9s,12r,13s)-12-isopropyl-5,9-dimethyl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7-triene-3,10,15-trione
3-hydroxy-4,4,8,11b-tetramethyl-1h,3h,4ah,5h,6h,10ah,11h,11ah-phenanthro[3,2-b]furan-2,9-dione
4-hydroxy-3,4a,5-trimethyl-4h,5h,6h,7h,9h-naphtho[2,3-b]furan-6-yl 2-methylbut-2-enoate
(1s,5r,12r,13s,18r)-5-ethenyl-13-hydroxy-5,12-dimethyl-10,14-dioxapentacyclo[11.2.2.1¹,⁹.0²,⁷.0¹²,¹⁸]octadec-7-en-11-one
10-hydroxy-14-(hydroxymethyl)-2,7-dimethyl-16-oxapentacyclo[9.7.0.0²,⁸.0⁵,⁷.0¹³,¹⁷]octadeca-11,13-dien-15-one
(1s,8r,10r)-3,4-dihydroxy-5-isopropyl-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5-trien-15-one
(1s,2s,5r,9r,12r,13s,18r)-5-ethenyl-13-hydroxy-5,12-dimethyl-10,14-dioxapentacyclo[11.2.2.1¹,⁹.0²,⁷.0¹²,¹⁸]octadec-7-en-11-one
4-hydroxy-5-isopropyl-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),4-diene-3,6-dione
(1r,8ar,10ar)-7-hydroxy-5-(hydroxymethyl)-1-isopropyl-8a,10a-dimethyl-1h,2h,9h,10h-cyclohexa[f]azulene-3,6-dione
2,5,6-trihydroxy-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohexyl acetate
3,4a,5-trimethyl-9-oxo-4h,5h,6h,7h,8h,8ah-naphtho[2,3-b]furan-6-yl 3-methylbut-2-enoate
(4r,4ar,5s,8ar)-3,4a,5-trimethyl-8-oxo-4h,5h,6h,7h,8ah,9h-naphtho[2,3-b]furan-4-yl (2z)-2-methylbut-2-enoate
(5r,9s,13r)-14-hydroxy-2,2,5,9,13-pentamethyl-16-oxapentacyclo[11.2.1.0¹,³.0⁷,¹¹.0⁷,¹⁵]hexadec-11-ene-6,10-dione
13-hydroxy-15-isopropyl-5,5-dimethyl-11-oxatetracyclo[8.6.0.0¹,¹³.0⁴,⁹]hexadeca-8,15-diene-12,14-dione
(3s)-2-(2,3-dihydroxy-4-methylphenyl)-6-methylhepta-1,5-dien-3-yl (2z)-2-methylbut-2-enoate
(6s,6ar,7as,8as)-6a-hydroxy-6-(2-hydroxypropan-2-yl)-7a-isopropyl-3-methyl-4h,5h,6h,8ah-phenaleno[1,2-b]oxiren-7-one
5,6,10-trihydroxy-7-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2h-phenanthren-9-one
methyl (8e,10e,15r)-3,5,7,15-tetrahydroxyhexadeca-8,10-dienoate
(6s)-3-(4-methylpent-3-en-1-yl)-6-[(2e)-5-(2-oxo-5h-furan-3-yl)pent-2-en-2-yl]-5,6-dihydropyran-2-one
4-[(3e)-4-methyl-7-[(3e,5s)-5-(2-methylprop-1-en-1-yl)-2-oxooxolan-3-ylidene]hept-3-en-1-yl]-5h-furan-2-one
(1r,2z,6r,10s,12s,14r,15s)-3,7,7,10,14-pentamethyl-16-oxatetracyclo[10.4.0.0¹,¹⁵.0⁶,¹⁰]hexadec-2-ene-4,9,11-trione
6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylbut-2-enoate
(4as)-5,6-dihydroxy-7-(2-hydroxypropan-2-yl)-1,1,4a-trimethyl-3,4-dihydro-2h-phenanthren-9-one
2,5,6-trihydroxy-2-(2-hydroxy-6-methylhept-5-en-2-yl)-5-methylcyclohexyl acetate
(1r,2r,5r,6r)-2,5,6-trihydroxy-2-[(2r)-2-hydroxy-6-methylhept-5-en-2-yl]-5-methylcyclohexyl acetate
14-ethyl-14-(2-hydroxyethyl)-16-oxa-8,10-diazatetracyclo[8.6.2.0¹,⁹.0²,⁷]octadeca-2,4,6-trien-15-one
C19H26N2O3 (330.19433260000005)
(1s,2r,3s,5s,6s)-2-(hydroxymethyl)-3-(2-hydroxypropyl)-1'-methyl-8-azaspiro[bicyclo[3.2.1]octane-6,3'-indol]-2'-one
C19H26N2O3 (330.19433260000005)
(1s,2r,3s,5s,6s)-2-(hydroxymethyl)-3-[(2r)-2-hydroxypropyl]-1'-methyl-8-azaspiro[bicyclo[3.2.1]octane-6,3'-indol]-2'-one
C19H26N2O3 (330.19433260000005)
(1s,2r,3s,5s,6r)-2-(hydroxymethyl)-3-(2-hydroxypropyl)-1'-methyl-8-azaspiro[bicyclo[3.2.1]octane-6,3'-indol]-2'-one
C19H26N2O3 (330.19433260000005)
methyl 3,5,7,15-tetrahydroxyhexadeca-8,10-dienoate
(1r,2r,5r,6r)-2,5,6-trihydroxy-5-[(2r)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methylcyclohexyl acetate
(1s,2r,3s,5s,6s)-2-(hydroxymethyl)-3-[(2s)-2-hydroxypropyl]-1'-methyl-8-azaspiro[bicyclo[3.2.1]octane-6,3'-indol]-2'-one
C19H26N2O3 (330.19433260000005)