Exact Mass: 422.3243366
Exact Mass Matches: 422.3243366
Found 358 metabolites which its exact mass value is equals to given mass value 422.3243366
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
DHAP(O-18:0)
C21H43O6P (422.27971080000003)
DHAP(O-18:0) is the octadecanoyl derivative of Dihydroxyacetone phosphate. It is also known as an alkyl-DHAP. This compound is formed by octadecanoic acid reacting with DHAP. Alkyl-DHAPs are intermediates in the synthesis of ether phospholipids. The initial steps of ether phospholipid biosynthesis take place in peroxisomes. Alkyl-dihydroxyacetonephosphate synthase is the peroxisomal enzyme that actually introduces the ether linkage. Levels of Alkyl-DHAP have been found to be strongly reduced in human fibroblasts derived from Zellweger syndrome and rhizomelic chondrodysplasia punctata patients. Four other enzymes are known to be involved in the metabolism of acyl-DHAP and alkyl-DHAP. These include: acyl-DHAP/alkyl-DHAP oxidoreductase, DHAP acyltransferase, alkyl-DHAP phosphohydrolase, and a dinitrofluorobenzene-insensitive acyl-DHAP acylhydrolase. Dihydroxyacetone phosphate (DHAP) is a biochemical compound primarily involved in the glycolysis metabolic pathway. DHAP is also the product of the dehydrogenation of L-glycerol-3-phosphate which is part of the entry of glycerol (sourced from triglycerides) into the glycolytic pathway. Conversely, reduction of glycolysis-derived DHAP to L-glycerol-3-phosphate provides adipose cells with the activated glycerol backbone they require to synthesize new triglycerides. Both reactions are catalyzed by the enzyme glycerol 3-phosphate dehydrogenase with NAD+/NADH as cofactor. DHAP may be referred to as glycerone phosphate in older texts. 1-Octadecyl-glycerone-3-phosphate is an intermediate in Ether lipid metabolism. DHAP(O-18:0) or 1-Octadecyl-glycerone-3-phosphate is converted from 1-Octadecanoyl-glycerone-3-phosphate via alkylglycerone phosphate synthase (EC: 2.5.1.26). Ether lipids are lipids in which one or more of the carbon atoms on glycerol is bonded to an alkyl chain via an ether linkage, as opposed to the usual ester linkage. Ether lipids are called plasmalogens (1-O-1-alkenyl-2-acylglycerophospholipids) if these are glycerol-containing phospholipids with an unsaturated O-(1-alkenyl) (vinyl ether) group at the first position on the glycerol chain. Plasmalogens as well as some 1-O-alkyl lipids are ubiquitous and sometimes major parts of the cell membranes in mammals and anaerobic bacteria. In archaea, ether lipids are the major polar lipids in the cell envelope and their abundance is one of the major characteristics that separate this group of prokaryotes from the bacteria. In these cells, diphytanylglycerolipids or bipolar macrocyclic tetraethers can form covalently linked bilayers. (Wikipedia). DHAP(18:0e) is the octadecanoyl derivative of Dihydroxyacetone phosphate. It is also known as an alkyl-DHAP. This compound is formed by octadecanoic acid reacting with DHAP. Alkyl-DHAPs are intermediates in the synthesis of ether phospholipids. The initial steps of ether phospholipid biosynthesis take place in peroxisomes. Alkyl-dihydroxyacetonephosphate synthase is the peroxisomal enzyme that actually introduces the ether linkage. Levels of Alkyl-DHAP have been found to be strongly reduced in human fibroblasts derived from Zellweger syndrome and rhizomelic chondrodysplasia punctata patients. Four other enzymes are known to be involved in the metabolism of acyl-DHAP and alkyl-DHAP. These include: acyl-DHAP/alkyl-DHAP oxidoreductase, DHAP acyltransferase, alkyl-DHAP phosphohydrolase, and a dinitrofluorobenzene-insensitive acyl-DHAP acylhydrolase. Dihydroxyacetone phosphate (DHAP) is a biochemical compound primarily involved in the glycolysis metabolic pathway. DHAP is also the product of the dehydrogenation of L-glycerol-3-phosphate which is part of the entry of glycerol (sourced from triglycerides) into the glycolytic pathway. Conversely, reduction of glycolysis-derived DHAP to L-glycerol-3-phosphate provides adipose cells with the activated glycerol backbone they require to synthesize new triglycerides. Both reactions are catalyzed by the enzyme glycerol 3-phosphate dehydrogenase with NAD+/NADH as cofactor. DHAP may be referred to as glycerone phosphate in older texts. 1-Octadecyl-glycerone-3-phosphate is an intermediate in Ether lipid metabolism. DHAP(18:0e) or 1-Octadecyl-glycerone-3-phosphate is converted from 1-Octadecanoyl-glycerone-3-phosphate via alkylglycerone phosphate synthase (EC: 2.5.1.26). Ether lipids are lipids in which one or more of the carbon atoms on glycerol is bonded to an alkyl chain via an ether linkage, as opposed to the usual ester linkage. Ether lipids are called plasmalogens (1-O-1-alkenyl-2-acylglycerophospholipids) if these are glycerol-containing phospholipids with an unsaturated O-(1-alkenyl) (vinyl ether) group at the first position on the glycerol chain. Plasmalogens as well as some 1-O-alkyl lipids are ubiquitous and sometimes major parts of the cell membranes in mammals and anaerobic bacteria. In archaea, ether lipids are the major polar lipids in the cell envelope and their abundance is one of the major characteristics that separate this group of prokaryotes from the bacteria. In these cells, diphytanylglycerolipids or bipolar macrocyclic tetraethers can form covalently linked bilayers. [HMDB]
7-Methyl-cholic acid
Homocholic acid
3-((((-Oxoheptyl)amino)acetyl)amino)methyl-7-oxobicyclo(2.2.1)hept-2-yl-5-heptenoic acid
Magnesium dodecanoate
It is used in foods as a binder, emulsifier and anticaking agent.
Glochidone
Glochidone is a pentacyclic triterpenoid that is lupa-1,20(29)-diene substituted by an oxo group at position 3. It has been isolated from Breynia fruticosa. It has a role as a plant metabolite. It is a pentacyclic triterpenoid and a cyclic terpene ketone. It derives from a hydride of a lupane. Glochidone is a natural product found in Byrsonima microphylla, Phyllanthus watsonii, and other organisms with data available. A pentacyclic triterpenoid that is lupa-1,20(29)-diene substituted by an oxo group at position 3. It has been isolated from Breynia fruticosa.
6alpha-Angeloyloxy-4alpha-hydroxy-3,4,13,14-tetrahydrokolavenic acid
(13alpha,14beta,17alpha,20S,23E)-lanosta-7,23,25-trien-3-one|alianthusaltinin A|cornusalterin D
agnosterone|lanosta-7,9(11),24-trien-3-one|Lanostatrien-(7.9(11).24)-on-(3)|lanostatrien-(7.9(11).24)-one-(3)
Oleana-11,13(18)-dien-3-on|oleana-11,13(18)-dien-3-one
27-Nor-5beta-cholestan-3alpha,7alpha,12alpha,24alpha-tetrol
Me ester-(3alpha,5beta,12alpha,16alpha)-3,12,16-Trihydroxycholan-24-oic acid
20-epi-isoiguesterinol
A pentacyclic triterpenoid that is a bisnortriterpene isolated from Salacia madagascariensis and exhibits antileishmanial and antileukemic activities.
Me ester-(3alpha,5alpha,6beta,7beta)-3,6,7-Trihydroxycholan-24-oic acid
4-carbamoyl-2-[(9Z,12Z)-(15,16-epoxy)octadeca-9,12-dienoylamino]butyric acid
15-acetoxy-13-hydroxy-14-propionyloxy-labd-8(17)-ene
8beta-hydroxy-18-senecioyloxy-ent-labdan-15-oic acid
(+)-amphidinolide T1|amphidinolide T|amphidinolide T1|amphidinolide-T1
mangicol A
A sesterterpenoid natural product found in the fungus Fusarium heterosporum. It exhibits significant antiinflammatory activity in the PMA-induced mouse ear edema model.
negundonorin B|rel-(2R,3S)-28-norursa-12,17,19,21-tetraen-2,3-diol
5-hydroxy-7-(3,7,11,15-tetramethyl-2,6,10,11-hexadecatetraenyl)-2(3H)-benzofuranone|5-hydroxy-7-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)-2(3H)-benzofuranone
4-hydroxy-2,3-dimethoxy-5-(11-methoxy-3,7,11-trimethyldodeca-2,6-dienyl)-6-methylcyclohex-2-en-1-one
(5S,8R,9S,10R,13S)-13-O-arabinopyranosyl-3,14-clerodadiene
3,7-dihydro-3-methyl-7-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-6 H-purin-6-one|Malonganenone J
C26H38N4O (422.30454579999997)
3alpha-3-Hydroxy-28-nor-11,13(18),17(22)-oleanatrien-21-one|Papyriogenin I
furospinosulin 2|Furospinosulin-2|Furospinulosin 2
3alpha-amino-23,29-imino-B(9a)-homo-19-nor-5alpha-stigmasta-1(10),7,23(N)-triene
5,20(29)-Lupadien-3-one|lupa-5,20(29)-dien-3-one|Lupadienon
8beta-hydroxy-18-angeloyloxy-ent-labdan-15-oic acid
13-hydroxylabda-7,14-diene-13(R)-O-alpha-L-arabinopyranoside
methyl (R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,15S,17R)-3,7,15-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
methyl (2R,4R)-4-((3R,5R,9S,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxypentanoate
methyl (4R)-4-((3R,5S,7R,9S,10S,13R,15R,17R)-3,7,15-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
methyl (4R)-4-((3R,5S,7R,9S,10S,13R,14R,17R)-3,7,14-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
(4R)-4-((3R,5S,7S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-6,10,13-trimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
methyl (R)-4-((3R,5S,7R,8S,9S,10S,13R,14R,17R)-3,7,14-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
(5R)-5-((3R,5S,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)hexanoic acid
(5Z,7E)-(1S,3R)-22-(3-hydroxyphenyl)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol
(5Z,7E)-(1S,3R)-22-(4-hydroxyphenyl)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol
19-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol
Methyl Cholate
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids Methyl Cholate is methyl ester form of Cholic acid. Cholic acid is one of the major?bile acids?produced by the?liver, where it is synthesized from?cholesterol[1]. Methyl Cholate is methyl ester form of Cholic acid. Cholic acid is one of the major?bile acids?produced by the?liver, where it is synthesized from?cholesterol[1].
1alpha-hydroxy-22-(3-hydroxyphenyl)-23,24,25,26,27-pentanorvitamin D3
1alpha-hydroxy-22-(4-hydroxyphenyl)-23,24,25,26,27-pentanorvitamin D3
(9,9-Dihexyl-9H-fluorene-2,7-diyl)diboronic acid
C25H36B2O4 (422.27995560000005)
4-Butoxyphenyl 4-trans-(4-pentylcyclohexyl)benzoate
2-Pyridinecarboxamide, 6-[hexahydro-4-[1-(1-methylethyl)-4-piperidinyl]-1h-1,4-diazepin-1-yl]-n-4-pyridinyl-
C308 - Immunotherapeutic Agent > C63817 - Chemokine Receptor Antagonist > C107589 - CXCR4 Inhibitor
Nandrolone cyclotate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholan-24-oic acid Methyl ester
3alpha,7beta,12alpha-Trihydroxy-5alpha-cholan-24-oic acid Methyl ester
3beta,7alpha,12alpha-Trihydroxy-5alpha-cholan-24-oic acid Methyl ester
Minabeolide 1
A withanolide that is (22R)-22,26-epoxyergosta-1,4,24-triene substituted by oxo groups at positions 3 and 26. Isolated from Paraminabea acronocephala, it exhibits antineoplastic and anti-inflammatory activities.
3alpha,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
(E)-7-[3-[[[2-(heptanoylamino)acetyl]amino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
[(2S)-3-carboxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl]-trimethylazanium
C25H44NO4+ (422.32701640000005)
[(2S)-3-carboxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl]-trimethylazanium
C25H44NO4+ (422.32701640000005)
[3-carboxy-2-[(9E,11E,13E)-octadeca-9,11,13-trienoyl]oxypropyl]-trimethylazanium
C25H44NO4+ (422.32701640000005)
[3-carboxy-2-[(5E,9E,12E)-octadeca-5,9,12-trienoyl]oxypropyl]-trimethylazanium
C25H44NO4+ (422.32701640000005)
[3-carboxy-2-[(8E,10E,12E)-octadeca-8,10,12-trienoyl]oxypropyl]-trimethylazanium
C25H44NO4+ (422.32701640000005)
Cornusalterin D
A tirucallane triterpenoid that is (13alpha,14beta,17alpha,20S,23E)-lanosta-7,23,25-triene substituted by an oxo group at position 3. It has been isolated from the stem and stem barks of Cornus walteri.
3alpha,7alpha,15alpha-Trihydroxy-5beta-cholane-24-oic acid methyl ester
1-Oleyl-sn-glycero-3-phosphate
C21H43O6P (422.27971080000003)
A 1-alkyl-sn-glycerol 3-phosphate in which the alkyl group is specified as oleyl.
[3-carboxy-2-[(11E,13E,15E)-octadeca-11,13,15-trienoyl]oxypropyl]-trimethylazanium
C25H44NO4+ (422.32701640000005)
3alpha,7alpha,15beta-Trihydroxy-5beta-cholane-24-oic acid methyl ester
methyl (4R)-4-((3R,5S,7R,9S,10S,13R,14R,17R)-3,7,14-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
methyl (2R,4R)-4-((3R,5R,9S,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxypentanoate
(3-Carboxy-2-octadeca-2,4,6-trienoyloxypropyl)-trimethylazanium
C25H44NO4+ (422.32701640000005)
[(1S)-3-carboxy-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl]-trimethylazanium
C25H44NO4+ (422.32701640000005)
[(1S)-3-carboxy-1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl]-trimethylazanium
C25H44NO4+ (422.32701640000005)
9-[(E)-5-(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-3-methylpent-2-enyl]-7-methylpurin-9-ium-6-amine
C26H40N5+ (422.32835400000005)
3alpha,6alpha,7alpha-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3beta,6beta,7alpha-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
[1-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoxy]-3-hydroxypropan-2-yl] heptanoate
[1-hydroxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoxy]propan-2-yl] pentanoate
[1-hydroxy-3-[(11Z,14Z,17Z)-icosa-11,14,17-trienoxy]propan-2-yl] propanoate
3beta,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic acid methyl ester
3beta,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3alpha,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3alpha,6beta,7alpha-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3alpha,6beta,7beta-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3beta,6alpha,7alpha-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3beta,6beta,7beta-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3beta,4beta,12alpha-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3alpha,4beta,12alpha-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3alpha,7beta,12beta-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3beta,7alpha,12beta-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3beta,7beta,12beta-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3beta,7alpha,12beta-Trihydroxy-5alpha-cholan-24-oic acid Methyl ester
3beta,4beta,7alpha-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3alpha,4beta,7alpha-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3beta,7beta,12beta-Trihydroxy-5alpha-cholan-24-oic acid Methyl ester
3alpha,7beta,12beta-Trihydroxy-5alpha-cholan-24-oic acid Methyl ester
3beta,7beta,12alpha-Trihydroxy-5alpha-cholan-24-oic acid Methyl ester
3alpha,7alpha,12beta-Trihydroxy-5alpha-cholan-24-oic acid Methyl ester
(4R)-4-((3R,5S,7S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-6,10,13-trimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(1-hexanoyloxy-3-hydroxypropan-2-yl) (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
(1-acetyloxy-3-hydroxypropan-2-yl) (11Z,14Z,17Z)-icosa-11,14,17-trienoate
2-[(13Z,16Z)-tetracosa-13,16-dienoyl]oxyacetic acid
(1-butanoyloxy-3-hydroxypropan-2-yl) (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
1-Octadecylglycerone 3-phosphate
C21H43O6P (422.27971080000003)
A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as octadecyl.
(23S)-methyl-3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid
1-(9E-octadecyl)-sn-glycero-3-phosphate
C21H43O6P (422.27971080000003)
1-(1Z-octadecenyl)-glycero-3-phosphate
C21H43O6P (422.27971080000003)
1-(1Z-octadecenyl)-sn-glycero-3-phosphate
C21H43O6P (422.27971080000003)
A 1-(alk-1-enyl)-sn-glycero-3-phosphate in which the alkenyl group is specified as 1Z-octadecenyl.
DG(22:3)
Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved
DG(23:3)
Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved
LSM(15:1)
C20H43N2O5P (422.29094380000004)
Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved
n-[2-(1h-indol-3-yl)ethyl]octadeca-9,12-dienimidic acid
4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a-decahydro-1h-picen-3-one
(2s)-2-{[(9z,12z,15z,17r)-1,17-dihydroxyoctadeca-9,12,15-trien-1-ylidene]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid
(2s,3s,4s)-5-[(2r,3ar,6s,10r)-2-hydroxy-3,6,7a,10-tetramethyl-1h,2h,3h,4h,5h,6h,8h,9h,10ah,10bh-cyclopenta[d]s-indacen-10-yl]-2-methylpentane-1,2,3,4-tetrol
6-amino-7-[(2e,6e)-9-[(1s)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-yl]-9-methylpurin-9-ium
[C26H40N5]+ (422.32835400000005)
7-[5-(5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl)-3-methylpent-2-en-1-yl]-6-amino-9-methylpurin-9-ium
[C26H40N5]+ (422.32835400000005)
7-[(2e)-5-[(1s,2s,4ar)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl]-6-amino-9-methyl-8h-purin-8-yl
5-(2-hydroxy-2,5,8a-trimethyl-5-{[(3-methylbut-2-enoyl)oxy]methyl}-hexahydro-1h-naphthalen-1-yl)-3-methylpentanoic acid
2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-5,6,7,8a,9,10,12,12a,14,14a-decahydropicene-3,8-dione
(6ar,6br,8ar,11s,12ar,12bs,14ar)-3-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-6a,7,8,9,10,11,12,12a,13,14-decahydropicene-2,6-dione
(2r,3s,4ar,6ar,6bs,14ar,14br)-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4a,5,6,7,8,14,14a-decahydropicene-2,3-diol
7-{5-[(1s,2r,4ar,8ar)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl}-6-amino-9-methylpurin-9-ium
[C26H40N5]+ (422.32835400000005)
(1s,3s,3ar,4r,5s,7ar)-1,3,4,5,7-pentaethyl-2-oxo-5-[(1e)-2-phenylethenyl]-1,3,3a,7a-tetrahydroindene-4-carboxylic acid
2,3-dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-6a,7,8,9,12,12a,13,14-octahydro-6h-picen-5-one
3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-1h,2h,3h,4h,5h,6h,10h,11h,11bh,12h,13h,13ah,13bh-cyclopenta[a]chrysen-9-one
(2s,3r,4s,5r)-2-{[(3r)-5-[(1r,4ar,8ar)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy}oxane-3,4,5-triol
(1r,3ar,5ar,5br,7ar,11ar,11br,13ar,13bs)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-1h,2h,3h,4h,5h,6h,7h,7ah,11bh,12h,13h,13ah,13bh-cyclopenta[a]chrysen-9-one
3-oxo-olean-9(11),12-diene
{"Ingredient_id": "HBIN009432","Ingredient_name": "3-oxo-olean-9(11),12-diene","Alias": "NA","Ingredient_formula": "C30H46O","Ingredient_Smile": "CC1(CCC2(CCC3(C(=CC=C4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1)C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16390","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
methyl 2-[(3r,6r)-6-[(3e)-6-(1-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-en-1-yl]-6-methyl-1,2-dioxan-3-yl]propanoate
6-amino-7-[(2e,6e)-3,7-dimethyl-9-[(1r,6s)-1,2,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dien-1-yl]-9-methylpurin-9-ium
[C26H40N5]+ (422.32835400000005)
1,3,4,5,7-pentaethyl-2-oxo-5-(2-phenylethenyl)-1,3,3a,7a-tetrahydroindene-4-carboxylic acid
7-{5-[(1s,2r,4as,5r)-1,2,4a,5-tetramethyl-2,3,4,5,6,7-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl}-6-amino-9-methylpurin-9-ium
[C26H40N5]+ (422.32835400000005)
7,7,12,16-tetramethyl-15-(6-methylhepta-3,5-dien-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one
7-{5-[(1r,2s,4ar,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl}-6-amino-9-methylpurin-9-ium
[C26H40N5]+ (422.32835400000005)
7-[(2e)-5-[(1s,2r,4ar,8ar)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl]-6-amino-9-methylpurin-9-ium
[C26H40N5]+ (422.32835400000005)
2-{[(9z,12z,15z)-1,17-dihydroxyoctadeca-9,12,15-trien-1-ylidene]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid
(4as,6as,6br,8ar,12ar,14bs)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a-decahydro-1h-picen-3-one
3-(acetyloxy)-2-hydroxypropyl 3-methyl-5-(1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl)pentanoate
5-hydroxy-7-[(2e,6e,10e)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-3h-1-benzofuran-2-one
(4ar,6as,6br,8ar,12ar,14bs)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a-decahydro-1h-picen-3-one
2-(acetyloxy)-3-hydroxypropyl 3-methyl-5-(1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl)pentanoate
4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4a,5,6,7,8,14,14a-decahydropicene-2,3-diol
7-[(2e)-5-[(1r,2s,4ar,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl]-6-amino-9-methyl-8h-purin-8-yl
3-(acetyloxy)-2-hydroxypropyl 5-(2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpentanoate
(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-1-[(2r)-6-methylhept-5-en-2-yl]-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one
4-(hydroxymethyl)-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,14,14a-decahydropicen-3-ol
6-amino-7-[(2e)-9-[(1r)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-yl]-9-methylpurin-9-ium
[C26H40N5]+ (422.32835400000005)
(3s)-5-[(1s,2s,4as,5s,8ar)-2-hydroxy-2,5,8a-trimethyl-5-({[(2z)-2-methylbut-2-enoyl]oxy}methyl)-hexahydro-1h-naphthalen-1-yl]-3-methylpentanoic acid
(1s,3r,8r,11s,12s,15r,16r)-7,7,12,16-tetramethyl-15-[(2s,4e)-6-methylhepta-4,6-dien-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one
7,7,12,16-tetramethyl-15-(6-methylhepta-4,6-dien-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one
(6ar,6bs,8as,12ar,14as,14br)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-5,6,7,8a,9,10,12,12a,14,14a-decahydropicene-3,8-dione
(3r,6ar,6bs,8ar,12s,12as,14br)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,6,7,8,9,10,12,12a,14,14a-dodecahydropicen-3-ol
7-{5-[(1r,4ar,8ar)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpent-2-en-1-yl}-6-amino-9-methylpurin-9-ium
[C26H40N5]+ (422.32835400000005)
(3s,5r)-3-[(1s,3as,5ar,9as,11as)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-5-ethenyloxolan-2-one
methyl (2s)-2-[(3r,6s)-6-{6-[(1s)-1-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylidenehexyl}-6-methyl-1,2-dioxan-3-yl]propanoate
(1s,3r,8r,11s,12s,15r,16r)-7,7,12,16-tetramethyl-15-[(2r,3z)-6-methylhepta-3,5-dien-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one
2-[(1,17-dihydroxyoctadeca-9,12,15-trien-1-ylidene)amino]-4-(c-hydroxycarbonimidoyl)butanoic acid
(2s,3s,4s)-1-(3-hydroxyphenyl)-2,7-dimethyl-2,4-bis(3-methylbut-2-en-1-yl)-3-(prop-1-en-2-yl)oct-7-en-1-one
methyl 4-{4,7,11-trihydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl}pentanoate
(6ar,6bs,8as,12ar,14as,14bs)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-5,6,7,8a,9,10,12,12a,14,14a-decahydropicene-3,8-dione
(2r,3r,4ar,6ar,6bs,14ar,14br)-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4a,5,6,7,8,14,14a-decahydropicene-2,3-diol
4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a-dodecahydropicen-3-one
methyl (2s)-2-[(3r,6s)-6-[6-(1-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-4-methylidenehexyl]-6-methyl-1,2-dioxan-3-yl]propanoate
(3r,4s,4ar,6ar,6bs,14ar,14br)-4-(hydroxymethyl)-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,14,14a-decahydropicen-3-ol
7-[(2e)-5-[(1r,2s,4ar)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl]-6-amino-9-methylpurin-9-ium
[C26H40N5]+ (422.32835400000005)
6-amino-7-[(2e,6e)-9-[(1r)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-yl]-9-methylpurin-9-ium
[C26H40N5]+ (422.32835400000005)
7-[(2e)-5-[(1r,4ar,8ar)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpent-2-en-1-yl]-6-amino-9-methylpurin-9-ium
[C26H40N5]+ (422.32835400000005)
6-amino-7-[(2e)-3,7-dimethyl-9-[(1r,6s)-1,2,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dien-1-yl]-9-methylpurin-9-ium
[C26H40N5]+ (422.32835400000005)
5-{2-hydroxy-3,6,7a,10-tetramethyl-1h,2h,3h,4h,5h,6h,8h,9h,10ah,10bh-cyclopenta[d]s-indacen-10-yl}-2-methylpentane-1,2,3,4-tetrol
(2s)-2-{[(9z,12z,15z,17s)-1,17-dihydroxyoctadeca-9,12,15-trien-1-ylidene]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid
2,10a-dihydroxy-1,4b,6a,8-tetramethyl-8-(4-methylpent-3-en-1-yl)-6,7,9,10-tetrahydro-5h-chrysen-3-one
7-[(2e)-5-[(1r,2s,4as)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl]-6-amino-9-methylpurin-9-ium
[C26H40N5]+ (422.32835400000005)
1-(acetyloxy)-3-hydroxypropan-2-yl 5-(2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpentanoate
(1r,3ar,5ar,5br,7ar,11ar,11br,13as,13br)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-1h,2h,3h,4h,5h,6h,7h,7ah,11bh,12h,13h,13ah,13bh-cyclopenta[a]chrysen-9-one
6-amino-9-methyl-7-{3-methyl-5-[(1s,2r)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]pent-2-en-1-yl}purin-9-ium
[C26H40N5]+ (422.32835400000005)
(1r,3ar,5ar,5br,7ar,11ar,11bs,13ar,13br)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-1h,2h,3h,4h,5h,6h,7h,7ah,11bh,12h,13h,13ah,13bh-cyclopenta[a]chrysen-9-one
methyl (2r)-2-[(3r,6s)-6-[(3e)-6-[(1r)-1-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylhex-3-en-1-yl]-6-methyl-1,2-dioxan-3-yl]propanoate
5-{4-hydroxy-3,6,7a,10-tetramethyl-1h,2h,3h,4h,5h,6h,8h,9h,10ah,10bh-cyclopenta[d]s-indacen-10-yl}-2-methylpentane-1,2,3,4-tetrol
(2r)-2-(acetyloxy)-3-hydroxypropyl (3r)-5-[(4ar,8ar)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoate
4,4,6a,6b,8a,11,11,14b-octamethyl-2,6,7,8,9,10,12,12a,14,14a-decahydro-1h-picen-3-one
3a,6,6,9a,11a-pentamethyl-1-(6-methylhepta-4,6-dien-2-yl)-1h,2h,3h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
6-amino-9-methyl-7-[(2e)-3-methyl-5-[(1s,2r)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]pent-2-en-1-yl]purin-9-ium
[C26H40N5]+ (422.32835400000005)
(1s,3r,8s,11s,12s,15r,16r)-7,7,12,16-tetramethyl-15-[(2r,3z)-6-methylhepta-3,5-dien-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one
7-{5-[(1s,2r,4as,5r,8ar)-1,2,4a,5-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl}-6-amino-9-methylpurin-9-ium
[C26H40N5]+ (422.32835400000005)
methyl (2r)-2-[(3r,6r)-6-[(3e)-6-(1-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-en-1-yl]-6-methyl-1,2-dioxan-3-yl]propanoate
(2r)-3-(acetyloxy)-2-hydroxypropyl (3r)-5-[(4ar,8ar)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoate
(2r)-1-(acetyloxy)-3-hydroxypropan-2-yl (3r)-5-[(1r,2r,4as)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]-3-methylpentanoate
(2s,3s,4s)-5-[(3s,3ar,4r,6s,7ar,10r,10ar,10bs)-4-hydroxy-3,6,7a,10-tetramethyl-1h,2h,3h,4h,5h,6h,8h,9h,10ah,10bh-cyclopenta[d]s-indacen-10-yl]-2-methylpentane-1,2,3,4-tetrol
(4ar,6ar,6bs,8ar,14ar,14bs)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,14a-decahydro-1h-picen-3-one
(2s)-3-(acetyloxy)-2-hydroxypropyl (3r)-5-[(1r,2r,4as)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]-3-methylpentanoate
3a,6,6,9a,11a-pentamethyl-1-(6-methylhept-5-en-2-yl)-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one
6-(1-{9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}ethyl)-3,4-dimethyl-5,6-dihydropyran-2-one
2-{[5-(2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpent-1-en-3-yl]oxy}oxane-3,4,5-triol
5-hydroxy-7-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl)-3h-1-benzofuran-2-one
(1s,3r,8r,11s,12s,15r,16r)-7,7,12,16-tetramethyl-15-[(2r,4e)-6-methylhepta-4,6-dien-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one
(2s)-1-(acetyloxy)-3-hydroxypropan-2-yl (3r)-5-[(4ar,8ar)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoate
10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,5,6,7,8,8a,10,11,12,12b-decahydropicen-3-one
(9z,12z)-n-[2-(1h-indol-3-yl)ethyl]octadeca-9,12-dienimidic acid
(2s,3s,4s)-5-[(2r,3r,3ar,6s,7ar,10r,10ar,10bs)-2-hydroxy-3,6,7a,10-tetramethyl-1h,2h,3h,4h,5h,6h,8h,9h,10ah,10bh-cyclopenta[d]s-indacen-10-yl]-2-methylpentane-1,2,3,4-tetrol
1-(3-hydroxyphenyl)-2,7-dimethyl-2,4-bis(3-methylbut-2-en-1-yl)-3-(prop-1-en-2-yl)oct-7-en-1-one
(1r,3ar,5ar,5br,7as,11ar,11bs,13ar,13br)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-1h,2h,3h,4h,5h,6h,7h,7ah,11bh,12h,13h,13ah,13bh-cyclopenta[a]chrysen-9-one
3-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-6a,7,8,9,10,11,12,12a,13,14-decahydropicene-2,6-dione
2-(acetyloxy)-3-hydroxypropyl 5-(2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpentanoate
(6ar,6bs,8as,14as)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-5,6,7,8a,9,10,12,12a,14,14a-decahydropicene-3,8-dione
(3r)-5-[(1s,2s,4as,5s,8ar)-2-hydroxy-2,5,8a-trimethyl-5-{[(3-methylbut-2-enoyl)oxy]methyl}-hexahydro-1h-naphthalen-1-yl]-3-methylpentanoic acid
7-[(2e)-5-[(1s,2r,4as,5r,8ar)-1,2,4a,5-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl]-6-amino-9-methylpurin-9-ium
[C26H40N5]+ (422.32835400000005)
(4ar,6as,6br,8ar,11r,12s,12ar,14bs)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a-dodecahydropicen-3-one
3-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl)furan
1-(acetyloxy)-3-hydroxypropan-2-yl 3-methyl-5-(1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl)pentanoate
(2s)-2-(acetyloxy)-3-hydroxypropyl (3r)-5-[(1r,2r,4as)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]-3-methylpentanoate
4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,14a-decahydro-1h-picen-3-one
2-{[5-(5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl)-3-methylpent-1-en-3-yl]oxy}oxane-3,4,5-triol
7-[(2e)-5-[(1s,2r,4as,5r)-1,2,4a,5-tetramethyl-2,3,4,5,6,7-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl]-6-amino-9-methylpurin-9-ium
[C26H40N5]+ (422.32835400000005)
(1r,3as,9ar,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-3a-hydroxy-9a,11a-dimethyl-1h,2h,3h,8h,9h,11h-cyclopenta[a]phenanthrene-5,7-dione
(1r,3ar,5ar,5br,11ar,11bs,13ar,13br)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-1h,2h,3h,4h,5h,6h,10h,11h,11bh,12h,13h,13ah,13bh-cyclopenta[a]chrysen-9-one
methyl 2-{6-[6-(1-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-en-1-yl]-6-methyl-1,2-dioxan-3-yl}propanoate
(4bs,6as,8r,10ar)-2,10a-dihydroxy-1,4b,6a,8-tetramethyl-8-(4-methylpent-3-en-1-yl)-6,7,9,10-tetrahydro-5h-chrysen-3-one
3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-1h,2h,3h,4h,5h,6h,7h,7ah,11bh,12h,13h,13ah,13bh-cyclopenta[a]chrysen-9-one
3-[(3e,7e,11e,15e)-4,8,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]furan
5-(2-hydroxy-2,5,8a-trimethyl-5-{[(2-methylbut-2-enoyl)oxy]methyl}-hexahydro-1h-naphthalen-1-yl)-3-methylpentanoic acid
3-hydroxy-11-(hydroxymethyl)-4,6b,8a,12b,14a-pentamethyl-8,9,10,11,12,12a,13,14-octahydro-7h-picen-2-one
(3r,4s,4as,6ar,6bs,14ar,14br)-4-(hydroxymethyl)-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,14,14a-decahydropicen-3-ol
(2s,3r,4s,5s)-2-{[(3r)-5-[(1s,4as,8as)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy}oxane-3,4,5-triol
(6bs,8ar,11r,12ar,12bs,14ar)-3-hydroxy-11-(hydroxymethyl)-4,6b,8a,12b,14a-pentamethyl-8,9,10,11,12,12a,13,14-octahydro-7h-picen-2-one
(6as,6br,8ar,10r,12as,12br)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,5,6,7,8,8a,10,11,12,12b-decahydropicen-3-one
(3s)-5-[(1s,2r,4s,4as,5r,8ar)-5-hydroxy-1,2,4a,5-tetramethyl-4-{[(2z)-2-methylbut-2-enoyl]oxy}-hexahydro-2h-naphthalen-1-yl]-3-methylpentanoic acid
(6ar,6bs,8ar,12ar,14as,14br)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,6,7,8,9,10,12,12a,14,14a-decahydro-1h-picen-3-one
7-[(2e)-5-[(1r,2s,4ar,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl]-6-amino-9-methylpurin-9-ium
[C26H40N5]+ (422.32835400000005)