Exact Mass: 350.220546
Exact Mass Matches: 350.220546
Found 500 metabolites which its exact mass value is equals to given mass value 350.220546
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
9-fluoro-11,17-dihydroxy-2,17-dimethylandrost-4-en-3-one
5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate
Adamantylamide-alanyl-isoglutamine
C18H30N4O3 (350.23177899999996)
[1R-(1alpha,4beta,4abeta,6alpha,8aalpha)]-6-(Acetyloxy)-4-ethoxy-1,2,3,4,4a,5,6,8a-octahydro-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester
16,17,18-Trihydroxy-2,6,10,14-phytatetraen-1,20-olide
8beta,17-Epoxy-3beta,7beta-Dihydroxy-12(E)-labden-16,15-olide
3,5-Dihydroxy-4-(3,7-dimethylocta-2,7-dienyl)bibenzyl
(ent-6alpha,13E)-6,16-Dihydroxy-17-oxo-7,13-labdadien-15-oic acid
(E,Z,Z,Z)-2-(9-Hydroxy-4,8-dimethyl-3,7-nonadienyl)-6-methyl-2,6-octadienedioic acid
16,17,18,20-Tetrahydroxynerylgeran-1-oic acid lactone
13,16alpha,17-trihydroxy-ent-9(11)-kauren-19-oic acid
7beta,18,19-trihydroxy-ent-clerodan-3,13-dien-16,15-diolide
2beta-hydroxy-ent-clerod-3-en-15-oic acid-18,19-olide
3alpha-angeloyloxy-4alpha,11-dihydroxy-eudesm-6-en-8-one|3alpha-angeloyloxy-4alpha,11-hihydroxyeudesm-6-en-8-one
11,12,15-Trihydroxy-16-kauren-19-oic acid|ent-11alpha,12alpha,15alpha-trihydroxykaur-16-en-19-oic acid
3-desoxy-8-epi-hymenoxon(2-methylbutyrate)|3-desoxy-8-epi-hymenoxon<2-methylbutyrate>
3alpha,8beta,14beta-trihydroxyabiet-13,15-en-16,12-olide|suremulide
1-deoxyrabdoserrin B|7alpha,12alpha,14beta,20-tetrahydroxy-ent-kaur-16-en-15-one|excisanin I
7beta,16beta,17-trihydroxy-ent-kauran-6beta,19-olide
3beta-hydroxy-abieta-8(14)-en-18-oic acid 9alpha,13alpha-endoperoxide
(+)-miliusane XX|[4alpha-methoxy-7alpha-(2,6-dimethyl-hepta-1,5-dienyl)-2-oxo-6beta-oxa-bicyclo[3.2.1]oct-1-yl]acetic acid methyl ester
2beta,3beta,17,19-tetrahydroxyspongia-13(16),14-diene
7alpha,14beta,18,20-tetrahydroxy-ent-kaur-16-en-15-one|excisanin J
7alpha-13alpha,14beta,18-tetrahydroxy-ent-atis-16-en-15-one|alboatisin A
pulchellin-2-O-isovalerate|pulchellin-2alpha-O-isovalerate
(ent-7alpha,15beta)-7,9,15-Trihydroxy-16-kauren-19-oic acid|ent-7alpha,9alpha,15beta-trihydroxy-kaurenic acidz
6alpha-isovaleryloxy-1-hydroxy-4alphaH-1,10-secoeudesma-5(10),11(13)-dien-12,8beta-olide
4,5-Dihydro-4alpha-hydroxyivangustin-2-methylbutyrat
(1beta,2alpha,3betaH,6E,10E)-1,2-Dihydroxy-13-oxo-6,10,14-phytatrien-20,1-olide
3alpha,5alpha,8beta-trihydroxycleistanth-13(17),15-dien-18-oic acid
7-oxo-13beta,15-dihydroxyabiet-8(14)-en-18-oic acid
(1RS,2SR,5RS,6SR,9RS,10SR,12RS)-10-hydroxy-1,5,9-trimethyl-13-methylidene-15,18,19-trioxatetracyclo[10.3.2.1(2,5).1(6,9)]nonadecan-14-one|sinulaparvalide B
3alpha,15-dihydroxy-14-oxo-labd-8(17),13(16)-dien-19-oic acid
6alpha-(2-methybutyryloxy)-1-hydroxy-4alphaH-1,10-secoeudesma-5(10),11(13)-dien-12,8beta-olide
(2alpha,6alpha)-2,6,19-Trihydroxy-8,13-labdadien-15,16-olide
7-oxo-8,14beta-dihydroxy-15-isopimaren-18-oic acid|8,14beta-dihydroxy-7-oxo-15-isopimaren-18-oic acid
3,18,19-trihydroxy-ent-labda-8(17),13-dien-16,15-olide
7alpha-hydroxy-ent-clerod-3-en-15-oic acid-18,19-olide
ent-13-epi-8,13-epoxy-2-oxa-3-oxolabd-14-ene-1R-carboxylic acid
5-(1-isovalerianoyloxy)ethyl-2-O-isopentenyl-1,3-di-O-methylpyrogallol
(ent-4alpha,13xi)-4-Hydroxy-2-cleroden-18,19-olid-15-oic acid|4beta-hydroxy-ent-clerod-2-en-15-oic acid-18,19-olide
(2E,6E)-8-{[ (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-2,6-dimethylocta-2,6-dienoic acid
7-oxo-12alpha,13beta-dihydroxyabiet-8(14)-en-18-oic acid
14,15-Dihydro,13,14-didehydro,15-hydroxy-Ichthyouleolide|14-peroxy-15,17-dehydro-14,15-dihydroichthyouleolide
(+)-(1S*,4R*,8S*,10R*)-1,4,8-trihydroxycembra-2E,6E,11Z-trien-20,10-olide
(+)-(1S*,4S*,7R*,10R*)-1,4,7-trihydroxycembra-2E,8(19),11Z-trien-20,10-olide
13beta-dihydroxy-14-oxo-3,4-secoatis-16-en-3-oic acid
(8beta,12alphaH,16R)-8,12-Epoxy-16,17-dihydroxy-13-labden-15,16-olide
16alpha,17-Dihydroxy-7-oxo-(-)-kauran-19-saeure|ent-7-oxo-16alpha,17-dihydroxykauran-19-oic acid
(E)-3-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)dodecan-6-en-5-one
6,9:15,16-diepoxy-6-hydroxy-6,7-seco-13(16),14-labdadien-7-oic acid|leosibiric acid B
(7alpha,17beta)-15,17-Epoxy-7,17-dihydroxy-16-spongianone|7alpha,17beta-dihydroxy-15,17-oxidospongian-16-one
15,16-epoxy-3alpha,6beta,9alpha-trihydroxylabda-13(16),14-dien-7-one
4R*-hydroxy-6S*-tigloyloxyeudesma-7S*-11(13)-en-12-oic acid
(1aS,3aS,4E,7S,7aR,10R)-dodecahydro-4-[(2E)-4-hydroxy-4-methylpent-2-en-1-ylidene]-1a-methyl-8-methylideneoxireno[5,6]cyclonona[1,2-c]pyran-7,10-diol|asterolaurin L
(4E,10E)-9beta-hydroxy-3-(2-methylbutyroyloxy)-germacra-4,10(1)-diene-12,6alpha-olide|3beta-[2-methylbutyryloxy]-9beta-hydroxy-germacra-1(10),4-dienolide
(ent-1alpha,15alpha)-1,9,15-Trihydroxy-16-kauren-19-oci acid|ent-1alpha,9alpha,15alpha-trihydroxykaur-16-en-19-oic acid
17-Hydroxy-(2alpha,6alpha)-2,6-Dihydroxy-8,13-labdadien-15,16-olide
(3R,9S)-3-(9-hydroxyundecyl)-6,8-dihydroxy-3,4-dihydroisocoumarin
3alpha-senecioyloxy-4alpha,11-dihydroxy-eudesm-6-en-8-one
(ent-2alpha,3beta)-2,3,18-Trihydroxy-8(17),13-labdadien-15,16-olide
acetylajugarin II|deacetyl ajugarin II|deacetylajugarin II|deacetylajugarin-II
(8alpha,12alpha)-form-8,12-Epidioxy-15-hydroxy-13-abieten-18-oic acid
(-)-Kromycin|(3R)-14t-Aethyl-13c-hydroxy-3r,5,7t,9t,13t-pentamethyl-oxacyclotetradeca-5t,11t-dien-2,4,10-trion|(3R)-14t-ethyl-13c-hydroxy-3r,5,7t,9t,13t-pentamethyl-oxacyclotetradeca-5t,11t-diene-2,4,10-trione|Kromycin
5b,6-epoxydecahydro-4,7,8-trihydroxy-3-isopropyl-3a,5a,8-trimethyl-1H-pentaleno[1,6a-a]pentalen-5(5aH)-one|crinipellin D|rel-(1aR,2R,3S,3aR,4aR,7R,7aR,8R,9aS,9bR)-octahydro-2,3,8-trihydroxy-3,7a,9a-trimethyl-7-(1-methylethyl)-3H,5H-pentaleno[6a,1: 5,6]pentaleno[1,6a-b]oxiren-9(9aH)-one
(1R*,2E,4S*,6E,8R*,11E)-1-isopropyl-4-hydroxy-8-hydroperoxy-4,8-dimethyl-21-oxabicyclo[10.2.2]hexadeca-2,6,11-trien-20-one|laevigatlactone F
(4S,5alpha,12beta)-8beta,14beta-epoxy-12-hydroxy-11-oxototaran-19-oic acid|pedunculatic acid B
minheryin G
An ent-kaurane diterpenoid isolated from Isodon henryi and has been shown to exhibit cytotoxic activity.
15,16-epoxy-8beta-hydroxy-16-ketolabd-13-en-19-oic acid|leonotinic acid
16alpha,17-dihydroxy-15-oxo-ent-kaur-19-oic acid|16??,17-Dihydroxy-15-oxo-ent-kaur-19-oic acid|ent-17-hydroxy-15-oxokauran-19-oic acid
3-alpha,7alpha,14beta,15-beta-tetrahydroxy-ent-kaur-16-en-12-one|pharicunin F
2-(3,7-dimethylocta-2,6-dienyl)-5-(2-phenylethyl)benzene-1,3-diol
3,4-Dihydro-6,8-dihydroxy-3-(6-hydroxyundecyl)-1H-2-benzopyran-1-one
Bis-((4aR)-4c,7c-dimethyl-1-oxo-(4ar,7ac)-octahydro-cyclopenta[c]pyran-3xi-yl)-aether|bis-((4aR)-4c,7c-dimethyl-1-oxo-(4ar,7ac)-octahydro-cyclopenta[c]pyran-3xi-yl)-ether
7beta-hydroxy-abieta-8(14)-en-18-oic acid, 9alpha,13alpha-endoperoxide
13,14-seco-13-oxoabiet-7-ene-14,18-dioic acid|13-Oxo-13-isopropyl-13,14-seco-podocarpen-(7)-disaeure-(14,15)|13-oxo-13-isopropyl-13,14-seco-podocarpene-(7)-dioic acid-(14,15)
Epoxylathyrol
Epoxylathyrol is a natural product found in Euphorbia lathyris with data available.
Yuexiandajisu E
(4Ar,6aR,7R,10aS,11R,11aR,11bR)-6a,7,11-trihydroxy-4,4,8,11b-tetramethyl-1,2,3,4a,5,6,7,10a,11,11a-decahydronaphtho[2,1-f][1]benzofuran-9-one is a natural product found in Euphorbia ebracteolata with data available.
7beta-Hydroxylathyrol
7beta-Hydroxylathyrol is a natural product. 7beta-Hydroxylathyrol is a natural product.
Andropanolide
Andropanolide is a natural product found in Andrographis paniculata with data available.
5-(4-carboxy-3-methylbutyl)-5,6,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalene-1-carboxylic acid
6,8-dihydroxy-3-(10-hydroxyundecyl)-3,4-dihydroisochromen-1-one
2,4-bis(3-methylbut-2-enyl)-5-(2-phenylethyl)benzene-1,3-diol
C20H30O5_(1S,2R,4aR)-1-Hydroxy-7-isopropylidene-1,4a-dimethyl-6-oxodecahydro-2-naphthalenyl 2,3-dimethyl-2-oxiranecarboxylate
C20H30O5_2(3H)-Furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-, (3E,4R)
C20H30O5_Oxacyclotetradeca-7,11-diene-2,6,10-trione, 14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-, (7E,11E)
C20H30O5_1-Cyclopentene-1-octanoic acid, gamma-(acetyloxy)-3-oxo-2-(2-penten-1-yl)
C20H30O5_2-Cyclopentene-1-octanoic acid, 1-(acetyloxy)-4-oxo-5-[(2Z)-2-penten-1-yl]
C20H30O5_2(5H)-Furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]-1-hydroxyethyl]
C20H30O5_6,10a-Dihydroxy-4-(hydroxymethyl)-4,7,11b-trimethyl-2,3,4,4a,5,6,6a,7,10a,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-9(1H)-one
C20H30O5_1-Naphthalenecarboxylic acid, 5-[(3E)-4-carboxy-3-methyl-3-buten-1-yl]decahydro-3-hydroxy-1,4a-dimethyl-6-methylene
4-acetyloxy-8-(3-oxo-2-pent-2-enylcyclopenten-1-yl)octanoic acid
4-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-hydroxyethyl]-2H-furan-5-one
6,10a-dihydroxy-4-(hydroxymethyl)-4,7,11b-trimethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-9-one
(3E,4R)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one
5-(4-carboxy-3-methylbutyl)-5,6,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalene-1-carboxylic acid
2,4-bis(3-methylbut-2-enyl)-5-(2-phenylethyl)benzene-1,3-diol
6,8-dihydroxy-3-(10-hydroxyundecyl)-3,4-dihydroisochromen-1-one
5-(4-carboxy-3-methylbutyl)-5,6,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalene-1-carboxylic acid [IIN-based: Match]
6,8-dihydroxy-3-(10-hydroxyundecyl)-3,4-dihydroisochromen-1-one [IIN-based on: CCMSLIB00000846799]
5-(4-carboxy-3-methylbutyl)-5,6,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalene-1-carboxylic acid [IIN-based on: CCMSLIB00000847901]
5-(4-carboxy-3-methylbutyl)-5,6,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalene-1-carboxylic acid [IIN-based on: CCMSLIB00000847900]
6,8-dihydroxy-3-(10-hydroxyundecyl)-3,4-dihydroisochromen-1-one [IIN-based: Match]
(3E,4R)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one_major
6,8-dihydroxy-3-(10-hydroxyundecyl)-3,4-dihydroisochromen-1-one_major
2,4-bis(3-methylbut-2-enyl)-5-(2-phenylethyl)benzene-1,3-diol_major
8-(3-((1-Ethoxy-2-methyl-1-oxopropan-2-yl)oxy)phenyl)octanoic acid
5,6,15-trihydroxy-7,9,13-Eicosatrien-11-ynoic acid
Prostaglandin K2
Resolvin E1
A resolvin that is (6Z,8E,10E,14Z,16E)-icosa-6,8,10,14,16-pentaenoic acid which is substituted at positions 5, 12 and 18 by hydroxy groups (the 5S,12R,18R stereoisomer).
(ent-6alpha,7alpha,12alpha)-6,7,12-Trihydroxy-16-kauren-19-oic acid
Oryzalic acid A
Oryzalic acid B
6,8-Dihydroxy-3-(10-hydroxyundecyl)-3,4-dihydro-1H-isochromen-1-one
(E)-4-acetoxy-8-(3-oxo-2-(pent-2-en-1-yl)cyclopent-1-en-1-yl)octanoic acid
6,10a-Dihydroxy-4-(hydroxymethyl)-4,7,11b-trimethyl-2,3,4,4a,5,6,6a,7,10a,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-9(1H)-one
5-(4-Carboxy-3-methylbutyl)-5,6,8a-trimethyl-3-oxo-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid
3,4-Dihydro-6,8-dihydroxy-3-(10-hydroxyundecyl)isocoumarin
(2alpha,5alpha,17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one
5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate
(5E,13E)-11-Hydroxy-9,15-dioxoprosta-5,13-dien-1-oic acid
3,5-Dihydroxy-4-(3,7-dimethyl-2,6-octadienyl) bibenzyl
(5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid
A polyunsaturated fatty acid that is (6E,8Z,11Z,14Z,16E)-icosapentaenoic acid substituted at positions 5 and 18 by hydroperoxy and hydroxy groups respectively (the 5S, 18S-stereoisomer).
8-iso-15-keto-PGE2
8-iso-15-keto-PGE2 is an isoprostane. Isoprostanes are arachidonic acid metabolites produced by peroxidative attack of membrane lipids. These accumulate to substantial levels in many clinical conditions characterized in part by accumulation of free radicals and reactive oxygen species, including asthma, hypertension and ischemia reperfusion injury. For this reason, they are frequently used as markers of oxidative stress; however, many are now finding that these molecules are not inert, but in fact evoke powerful biological responses in an increasing array of cell types. In many cases, these biological effects can account in part for the various features and manifestations of those clinical conditions. Thus, it may be possible that the isoprostanes are playing somewhat of a causal role in those disease states (PMID: 14504139). Dinoprostone is a naturally occurring prostaglandin E2 (PGE2) and the most common and most biologically active of the mammalian prostaglandins. It has important effects in labour and also stimulates osteoblasts to release factors which stimulate bone resorption by osteoclasts (a type of bone cell that removes bone tissue by removing the bones mineralized matrix). PGE2 has been shown to increase vasodilation and cAMP production, to enhance the effects of bradykinin and histamine, to induce uterine contractions and to activate platelet aggregation. PGE2 is also responsible for maintaining the open passageway of the fetal ductus arteriosus; decreasing T-cell proliferation and lymphocyte migration and activating the secretion of IL-1alpha and IL-2. PGE2 exhibits both pro- and anti-inflammatory effects, particularly on dendritic cells (DC). Depending on the nature of maturation signals, PGE2 has different and sometimes opposite effects on DC biology. PGE2 exerts an inhibitory action, reducing the maturation of DC and their ability to present antigen. PGE2 has also been shown to stimulate DC and promote IL-12 production when given in combination with TNF-alpha. PGE2 is an environmentally bioactive substance. Its action is prolonged and sustained by other factors especially IL-10. It modulates the activities of professional DC by acting on their differentiation, maturation and their ability to secrete cytokines. PGE2 is a potent inducer of IL-10 in bone marrow-derived DC (BM-DC), and PGE2-induced IL-10 is a key regulator of the BM-DC pro-inflammatory phenotype (PMID: 16978535). Prostaglandins are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. 8-iso-15-keto-PGE2 is an isoprostane. Isoprostanes are arachidonic acid metabolites produced by peroxidative attack of membrane lipids. These accumulate to substantial levels in many clinical conditions characterized in part by accumulation of free radicals and reactive oxygen species, including asthma, hypertension and ischemia reperfusion injury. For this reason, they are frequently used as markers of oxidative stress; however, many are now finding that these molecules are not inert, but in fact evoke powerful biological responses in an increasing array of cell types. In many cases, these biological effects can account in part for the various features and manifestations of those clinical conditions. Thus, it may be possible that the isoprostanes are playing somewhat of a causal role in those disease states. (PMID: 14504139)
(3E)-3-[2-[(8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one
(5S)-hydroperoxy-18-hydroxy-EPE
An icosanoid that is (6E,8Z,11Z,14Z,16E)-icosa-6,8,11,14,16-pentaenoic acid substituted at positions 5S and 18 by hydroperoxy and hydroxy groups respectively.
2(3H)-Furanone, 3-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-
(E)-7-[3-[(1E,5E)-3-hydroxyocta-1,5-dienyl]-2,6-dioxabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid
(5S)-Hydroperoxy-18-hydroxy-(7E,9E,11Z,14Z,16E)-eicosapentaenoate
(Z)-7-[(1R,3R)-3-Hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic acid
(5Z)-5-[5-hydroxy-4-[(1E,5E)-3-hydroxyocta-1,5-dienyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
(2E,6E)-8-{[(2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-2,6-dimethylocta-2,6-dienoic acid
A natural product found in Anarrhinum orientale.
rel-(-)-(1S,4S,7S,10R)-1,4,7-trihydroxycembra-2E,8-(19),11Z-trien-20,10-olide
A cembrane diterpenoid that is cembra-2E,8-(19),11Z-trien-20,10-olide substituted by hydroxy groups at positions 1, 4 and 7. It has been isolated from the leaves of Croton gratissimus.
rel-(+)-(1S,4S,7R,10R)-1,4,7-trihydroxycembra-2E,8-(19),11Z-trien-20,10-olide
A cembrane diterpenoid that is cembra-2E,8-(19),11Z-trien-20,10-olide substituted by hydroxy groups at positions 1, 4 and 7. It has been isolated from the leaves of Croton gratissimus.
(7E,11E)-14-Ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-1-oxacyclotetradeca-7,11-diene-2,6,10-trione
7-(1-Azepanyl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
rel-(+)-(1S,4R,8S,10R)-1,4,8-trihydroxycembra-2E,6E,11Z-trien-20,10-olide
A cembrane diterpenoid that is cembra-2E,8-(19),11Z-trien-20,10-olide substituted by hydroxy groups at positions 1, 4 and 8. It has been isolated from the leaves of Croton gratissimus.
9-Fluoro-11beta,17beta-dihydroxy-2,17-dimethylandrost-4-en-3-one
(5S,6Z,8E,10E,14Z)-5,20-dihydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
(7E,9E,11Z,13E,15R,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoic acid
(6Z,8E,10E,14Z,16E,18R)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoic acid
(3E)-4-hydroxy-3-[2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]oxolan-2-one
3,3,5,5-Tetra-methyl-4,4-dicyclopropyl-methyloxy-biphenyl
15-dehydro-prostaglandin D2
The 15-dehydro derivative of prostaglandin D2.
5S-hydroperoxy-18R-hydroxy-6E,8Z,11Z,14Z,16E-eicosapentaenoic acid
Prostaglandin D3
A member of the class of prostaglandins D that is prosta-5,13,17-trien-1-oic acid substituted by hydroxy groups at positions 9 and 15 and an oxo group at position 11 (the 5Z,13E,15S,17Z-stereoisomer).
(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-20-oxoicosa-6,8,10,14-tetraenoic acid
Prostaglandin H3
A member of the class of prostaglandins H that is 9,11-epidioxyprosta-5,13,17-trienoic acid carrying an additional hydroxy substituent at the 15S-position.
15-oxolipoxin A4
A C20 hydroxy fatty acid having (5S)- and (6R)- -hydroxy groups as well as a 15-oxo group and (7E)- (9E)-, (11Z)- and (13E)-double bonds.
5(S)-hydroperoxy-18(R)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid
A polyunsaturated fatty acid that is (6E,8Z,11Z,14Z,16E)-icosapentaenoic acid substituted at positions 5 and 18 by hydroperoxy and hydroxy groups respectively (the 5S, 18R-stereoisomer).
20-Oxoleukotriene b4
A leukotriene that is leukotriene B4 bearing an additional oxo substituent at position 20.
(18S)-resolvin E1
A resolvin that is (6Z,8E,10E,14Z,16E)-icosa-6,8,10,14,16-pentaenoic acid which is substituted at positions 5, 12 and 18 by hydroxy groups (the 5S,12R,18S stereoisomer).
DG(17:4)
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(3s,3ar,5r,7s,8r,9ar)-5-hydroxy-3,5,8-trimethyl-2-oxo-3h,3ah,4h,6h,7h,8h,9h,9ah-azuleno[6,5-b]furan-7-yl (2r)-2-methylbutanoate
(1r,2s,6r,12s)-12-(2-hydroxypropan-2-yl)-2,6-dimethyl-13,14-dioxatetracyclo[10.2.2.0¹,¹⁰.0²,⁷]hexadec-10-ene-6-carboxylic acid
12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,9,10,18-tetrol
(3r)-5-[(6ar,7r,8s,9r,10as)-9-hydroxy-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]-3-methylpentanoic acid
7-[5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-8-(hydroxymethyl)-7-methyl-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-3-one
1,10-dimethyl-6-methylidene-5-oxo-4,14-dioxatricyclo[7.4.1.0³,⁷]tetradecan-2-yl 2-methylbutanoate
(2r,5r,6r,10r,12r,13r,15r)-13-(hydroxymethyl)-8-isopropyl-2,5-dimethyl-14,16-dioxapentacyclo[10.3.1.0²,¹⁰.0⁵,⁹.0¹³,¹⁵]hexadec-8-ene-1,6-diol
12-ethenyl-2,6,6,10,12-pentamethyl-5-oxo-4,11-dioxatricyclo[8.4.0.0²,⁷]tetradecane-3-carboxylic acid
4-methoxy-3,6-dioxo-2-undecylcyclohexa-1,4-dien-1-yl acetate
(4ar,6as,7s,10as,11r,11ar,11br)-6a,7,11-trihydroxy-4,4,8,11b-tetramethyl-1h,2h,3h,4ah,5h,6h,7h,10ah,11h,11ah-phenanthro[3,2-b]furan-9-one
(1r,3r,4r,6r,7r,8r,10s,16s)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadec-14-ene-3,4,6,7,16-pentol
(2z,6e)-7-[(3z,7e)-9-hydroxy-4,8-dimethylnona-3,7-dien-1-yl]-3-methylocta-2,6-dienedioic acid
5-(hydroxymethyl)-2,5,5',8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydrospiro[naphthalene-1,2'-oxolan]-5'-ylacetic acid
(3s,4r,5r)-4,5-dihydroxy-3-[(3e,7e)-4,8,12-trimethyl-10-oxotrideca-3,7,11-trien-1-yl]oxolan-2-one
4-{2-[8-hydroxy-8a-(hydroxymethyl)-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]ethyl}-5h-furan-2-one
(1s,3s,4r,4as,8r,8as)-4-[2-(furan-3-yl)ethyl]-1,4-dihydroxy-8-(hydroxymethyl)-3,4a,8-trimethyl-hexahydronaphthalen-2-one
4-[(3e,7z)-13-hydroxy-8,12-bis(hydroxymethyl)-4-methyltrideca-3,7,11-trien-1-yl]-5h-furan-2-one
(4r,5s,5ar,9as,9br)-4-(acetyloxy)-5,6,6,9a-tetramethyl-1h,4h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-1-yl acetate
5-{9-hydroxy-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl}-3-methylpentanoic acid
(1r,2s,6s,7r,12s)-12-(2-hydroxypropan-2-yl)-2,6-dimethyl-13,14-dioxatetracyclo[10.2.2.0¹,¹⁰.0²,⁷]hexadec-10-ene-6-carboxylic acid
3-[(2r)-2-[(1r,4as,5r,6r,8ar)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-2-hydroxyethyl]-5h-furan-2-one
(1r,4ar,5s,6r,8s,8ar)-5-[(2r)-2-(furan-3-yl)-2-hydroxyethyl]-8a-(hydroxymethyl)-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-8-ol
(4r,5s,5as,9as,9br)-4-(acetyloxy)-5,6,6,9a-tetramethyl-1h,4h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-1-yl acetate
4-[(3e,7e)-13-hydroxy-8,12-bis(hydroxymethyl)-4-methyltrideca-3,7,11-trien-1-yl]-5h-furan-2-one
2,8,11,16-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-one
(1r,4as,5r,5's,8as)-5-(hydroxymethyl)-2,5,5',8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydrospiro[naphthalene-1,2'-oxolan]-5'-ylacetic acid
(3s,6e,8e)-3-hydroxy-1-{[(6e,8e)-1-hydroxy-5-oxodeca-6,8-dien-3-yl]oxy}deca-6,8-dien-5-one
5-hydroxy-4-{2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethylidene}oxolan-3-one
(1''s,3r,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]dodecan]-2''-one
(1r,2r,4s,5s,9s,10s,12s,15s,16s)-2,15,16-trihydroxy-5-(hydroxymethyl)-5,9-dimethyl-13-methylidenetetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]hexadecan-14-one
4-[2-(furan-3-yl)ethyl]-1,4-dihydroxy-8-(hydroxymethyl)-3,4a,8-trimethyl-hexahydronaphthalen-2-one
(1r,2r,4r,6s,9s,10s,13s,16r)-2,6,16-trihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-one
5,13-dihydroxy-13-(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.0¹,¹⁰.0²,⁷]hexadec-10-ene-6-carboxylic acid
(3s,4s,5s)-4,5-dihydroxy-3-[(3e,7e)-4,8,12-trimethyl-10-oxotrideca-3,7,11-trien-1-yl]oxolan-2-one
3,4,12-trihydroxy-5-isopropyl-6,9-dimethyl-15-oxatetracyclo[7.6.1.0²,⁶.0¹³,¹⁶]hexadec-13(16)-en-14-one
(3z,4s)-3-{2-[(1r,4as,5r,6r,8as)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethylidene}-4-hydroxyoxolan-2-one
3-[(2r,3ar,5as,6r,7r,9ar,9bs)-7-hydroxy-6-(hydroxymethyl)-3a,6,9a-trimethyl-octahydro-1h-naphtho[2,1-b]furan-2-yl]-5h-furan-2-one
(1s,2r,4s,8r,9r,10s,15r)-2,9-dihydroxy-1,10-dimethyl-5,14-dimethylidene-7,18-dioxatricyclo[13.2.1.0⁴,⁸]octadecan-6-one
(3s,3ar,4s,6r,6ar,9ar,9br)-6-hydroxy-3,6,9-trimethyl-2-oxo-3h,3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl 3-methylbutanoate
(1r,2s,3r,4z,7s,10s,11r)-1,3,11-trihydroxy-4-(2-hydroxy-2-methylpropylidene)-10-methyltricyclo[8.3.1.0²,⁷]tetradec-5-ene-6-carbaldehyde
(3e,4s,5r)-3-[(3r,4e,8z)-3,10-dihydroxy-4,8-dimethyldeca-4,8-dien-1-ylidene]-4-hydroxy-5-(2-methylprop-1-en-1-yl)oxolan-2-one
2,8,12,16-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-one
3-{2-[(1r,4ar,6r,8as)-6-hydroxy-5,5-bis(hydroxymethyl)-8a-methyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethyl}-5h-furan-2-one
14-hydroxy-14-(hydroxymethyl)-5,9-dimethyl-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid
2,10a-dihydroxy-7-(2-hydroxyethylidene)-1,4a,8-trimethyl-2,3,4,4b,8,8a,9,10-octahydrophenanthrene-1-carboxylic acid
(2e,6e)-6-[(4e)-6-hydroxy-4-methylhex-4-en-1-ylidene]-2-(4-methylpent-3-en-1-yl)hept-2-enedioic acid
3-{2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-hexahydro-1h-spiro[naphthalene-2,2'-oxiran]-1-yl]ethyl}-5h-furan-2-one
(1r,2r,4s,5s,9r,10s,12s,13r,16r)-2,12,16-trihydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-one
11-hydroxy-8-[5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-3,9-dimethyl-12-oxatricyclo[6.3.2.0¹,⁷]tridec-2-en-4-one
12-(hydroxymethyl)-4,8-dimethyltetracyclo[9.2.2.0¹,⁹.0³,⁸]pentadecane-2,4-dicarboxylic acid
(3ar,4r,7ar)-5-[(2s)-5-hydroxypentan-2-yl]-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl 2-methylbutanoate
3-hydroxy-1-[(1-hydroxy-5-oxodeca-6,8-dien-3-yl)oxy]deca-6,8-dien-5-one
(1r,3s,6s,8r,10s,13r,14r,16r)-3,6,14,16-tetrahydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0³,⁸]hexadecan-4-one
13,15,16-trihydroxy-4,8,8,11,15-pentamethyl-3-oxatetracyclo[11.3.0.0²,⁴.0⁷,⁹]hexadec-10-en-12-one
1-hydroxy-1,4a-dimethyl-6-oxo-7-(propan-2-ylidene)-hexahydronaphthalen-2-yl 2,3-dimethyloxirane-2-carboxylate
(3'e)-1',11',13'-trihydroxy-3',6',6',14'-tetramethylspiro[oxirane-2,10'-tricyclo[10.3.0.0⁵,⁷]pentadecan]-3'-en-2'-one
(1r,4s,5r,9r,10r,12r,13r,14r)-10,12-dihydroxy-5,9,14-trimethyl-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid
(1''s,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]dodecan]-2''-one
(1s,3r,4r,6r,7r,8r,10s,13s,16r)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadec-14-ene-3,4,6,7,16-pentol
3a,4-dihydroxy-7-isopropyl-4-methyl-1-methylidene-8-oxo-hexahydroazulen-5-yl 2-methylbut-2-enoate
(1s,2s,5r,6s,7r,10r,12r,13r)-5,13-dihydroxy-13-(hydroxymethyl)-2,6-dimethyl-8-oxotetracyclo[10.3.1.0¹,¹⁰.0²,⁷]hexadecane-6-carbaldehyde
2,6-dihydroxy-2,6,10-trimethyl-15-methylidene-13,18-dioxatricyclo[9.6.1.0¹²,¹⁶]octadec-4-en-14-one
(1r,2r,4r,5s,8s,9r,10s,13s,16r)-2,8,16-trihydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-one
(1s,2r,4s,5s,9r,13s,15r,16r)-2,15,16-trihydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-11-one
2,3-dihydroxy-5-(hydroxymethyl)-1-(1-hydroxypropan-2-yl)-8a,10a-dimethyl-1h,2h,3h,7h,8h,9h,10h-cyclohexa[f]azulen-6-one
16-hydroxy-13-(hydroxymethyl)-5,9-dimethyl-12-oxapentacyclo[11.2.1.1¹¹,¹⁴.0¹,¹⁰.0⁴,⁹]heptadecane-5-carboxylic acid
5-hydroxy-1'',6'',8''-trimethyldispiro[bis(oxolane)-3,2':5',7''-[3]oxatricyclo[6.3.1.0⁴,¹²]dodecan]-2''-one
1,7-dihydroxy-3-(6-hydroxy-6-methyl-1-oxohepta-2,4-dien-2-yl)-6-methylbicyclo[4.3.1]decane-2-carbaldehyde
13,16α,17-trihydroxy-ent-9(11)-kauren-19-oicacid
{"Ingredient_id": "HBIN001002","Ingredient_name": "13,16\u03b1,17-trihydroxy-ent-9(11)-kauren-19-oicacid","Alias": "NA","Ingredient_formula": "C20H30O5","Ingredient_Smile": "CC12CCC3C45CCC(CC4(CCC3(C1CCC2C(=O)O)OC5)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21741","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-oxo-12α,13β-dihydroxyabie-8(14)-en-18-oicacid
{"Ingredient_id": "HBIN013425","Ingredient_name": "7-oxo-12\u03b1,13\u03b2-dihydroxyabie-8(14)-en-18-oicacid","Alias": "NA","Ingredient_formula": "C20H30O5","Ingredient_Smile": "CC(C)C1(C=C2C(CC1O)C3(CCCC(C3CC2=O)(C)C(=O)O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16305","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-deacetylleopersin a
{"Ingredient_id": "HBIN013691","Ingredient_name": "8-deacetylleopersin a","Alias": "NA","Ingredient_formula": "C20H30O5","Ingredient_Smile": "CC1(CCCC2(C1CC(=O)C(C23CCC4(O3)CC(=O)OC4)(C)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4746","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
adenostemmoic acid f
{"Ingredient_id": "HBIN014708","Ingredient_name": "adenostemmoic acid f","Alias": "NA","Ingredient_formula": "C20H30O5","Ingredient_Smile": "CC1(CCCC2(C1CCC34C2(C5CC(C3)C(C4O)(O5)C)O)C)C(=O)O","Ingredient_weight": "350.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "24813","TCMSP_id": "NA","TCM_ID_id": "7149","PubChem_id": "101532856","DrugBank_id": "NA"}
adenostemmoic acid g
{"Ingredient_id": "HBIN014709","Ingredient_name": "adenostemmoic acid g","Alias": "NA","Ingredient_formula": "C20H30O5","Ingredient_Smile": "CC12CCCC(C1CCC34C2C5CC(C3)C(C4O)(O5)CO)(C)C(=O)O","Ingredient_weight": "350.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "24812","TCMSP_id": "NA","TCM_ID_id": "7148","PubChem_id": "25090692","DrugBank_id": "NA"}
ballotenol
{"Ingredient_id": "HBIN017561","Ingredient_name": "ballotenol","Alias": "NA","Ingredient_formula": "C20H30O5","Ingredient_Smile": "CC1C(=O)C(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)CO)O","Ingredient_weight": "350.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2133","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21596487","DrugBank_id": "NA"}