Chemical Formula: C22H30O5
Chemical Formula C22H30O5
Found 496 metabolite its formula value is C22H30O5
Jasmolin II
Methylprednisolone
H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AB - Glucocorticoids D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AA - Corticosteroids, combinations for treatment of acne D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AA - Corticosteroids, weak (group i) D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid COVID info from DrugBank, clinicaltrial, clinicaltrials, clinical trial, clinical trials D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D000893 - Anti-Inflammatory Agents D020011 - Protective Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 904; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8731; ORIGINAL_PRECURSOR_SCAN_NO 8728 CONFIDENCE standard compound; INTERNAL_ID 904; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8721; ORIGINAL_PRECURSOR_SCAN_NO 8719 CONFIDENCE standard compound; INTERNAL_ID 904; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8747; ORIGINAL_PRECURSOR_SCAN_NO 8745 CONFIDENCE standard compound; INTERNAL_ID 904; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8759; ORIGINAL_PRECURSOR_SCAN_NO 8757 CONFIDENCE standard compound; INTERNAL_ID 904; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8784; ORIGINAL_PRECURSOR_SCAN_NO 8783 CONFIDENCE standard compound; INTERNAL_ID 904; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8757; ORIGINAL_PRECURSOR_SCAN_NO 8755 CONFIDENCE standard compound; INTERNAL_ID 2810 CONFIDENCE standard compound; INTERNAL_ID 1076 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2621
Methylprednisolone
Methylprednisolone is only found in individuals that have used or taken this drug. It is a prednisolone derivative with similar anti-inflammatory action. [PubChem]Unbound glucocorticoids cross cell membranes and bind with high affinity to specific cytoplasmic receptors, modifying transcription and protein synthesis. By this mechanism, glucocorticoids can inhibit leukocyte infiltration at the site of inflammation, interfere with mediators of inflammatory response, and suppress humoral immune responses. The antiinflammatory actions of corticosteroids are thought to involve phospholipase A2 inhibitory proteins, lipocortins, which control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes. H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AB - Glucocorticoids D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AA - Corticosteroids, combinations for treatment of acne D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AA - Corticosteroids, weak (group i) D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid COVID info from DrugBank, clinicaltrial, clinicaltrials, clinical trial, clinical trials D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D000893 - Anti-Inflammatory Agents D020011 - Protective Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
11,12-Dimethylrosmanol
11,12-Dimethylrosmanol is found in beverages. 11,12-Dimethylrosmanol is a constituent of Salvia columbariae (California chia). Constituent of Salvia columbariae (California chia). 11,12-Dimethylrosmanol is found in herbs and spices and beverages.
Macrophorin B
Macrophorin B is found in pomes. Macrophorin B is from Macrophoma fruit ro From Macrophoma fruit rot. Macrophorin B is found in pomes.
11beta,20-Dihydroxy-3-oxopregn-4-en-21-oic acid
11b,20-dihydroxy-3-oxopregn-4-en-21-oic acid or DHOPA is a major metabolite of corticosterone that is typically elevated in the liver. The in vivo conversion of corticosterone to DHOPA is thought to proceed via the aldehyde intermediate 11b-hydroxy-3,20-dioxopregn-4-en-21-al. Cytochrome P450 3A4 (CYP3A4), is known to convert corticosterone to the gem-diol form of the aldehyde. Because CYP3A4 is highly abundant in the liver, the conversion of corticosterone to its aldehyde presumably occurs readily, and the formation of DHOPA by isomerization of the aldehyde. DHOPA has also been identified as a biomarker that is elevated (50 X) in animals that have been treated with PPARalpha agonists. Peroxisome proliferator-activated receptor alpha (PPARalpha) is a nuclear receptor with manifold effects on intermediary metabolism (PMID: 17550978). [HMDB] 11b,20-dihydroxy-3-oxopregn-4-en-21-oic acid or DHOPA is a major metabolite of corticosterone that is typically elevated in the liver. The in vivo conversion of corticosterone to DHOPA is thought to proceed via the aldehyde intermediate 11b-hydroxy-3,20-dioxopregn-4-en-21-al. Cytochrome P450 3A4 (CYP3A4), is known to convert corticosterone to the gem-diol form of the aldehyde. Because CYP3A4 is highly abundant in the liver, the conversion of corticosterone to its aldehyde presumably occurs readily, and the formation of DHOPA by isomerization of the aldehyde. DHOPA has also been identified as a biomarker that is elevated (50 X) in animals that have been treated with PPARalpha agonists. Peroxisome proliferator-activated receptor alpha (PPARalpha) is a nuclear receptor with manifold effects on intermediary metabolism (PMID: 17550978).
A-Methapred
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents D020011 - Protective Agents
Cicaprost
(8R,9R,10S,13S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-1,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
7-Hydroxysecoisolariciresinol
7-hydroxysecoisolariciresinol is a member of the class of compounds known as dibenzylbutane lignans. Dibenzylbutane lignans are lignan compounds containing a 2,3-dibenzylbutane moiety. 7-hydroxysecoisolariciresinol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 7-hydroxysecoisolariciresinol can be found in sesame, which makes 7-hydroxysecoisolariciresinol a potential biomarker for the consumption of this food product.
7-O-Acetylhorminone
7-o-acetylhorminone is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. 7-o-acetylhorminone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 7-o-acetylhorminone can be found in common sage, which makes 7-o-acetylhorminone a potential biomarker for the consumption of this food product.
7-Ethylrosmanol
7-ethylrosmanol is a member of the class of compounds known as diterpene lactones. Diterpene lactones are diterpenoids containing a lactone moiety. 7-ethylrosmanol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 7-ethylrosmanol can be found in common sage and rosemary, which makes 7-ethylrosmanol a potential biomarker for the consumption of these food products.
[4aS-[4aalpha,5alpha,6beta,7alpha(Z),8abeta]]- 6-(Acetyloxy)-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-7-yl ester 2-methyl-2-butenoic acid
[4aS-(4aalpha,5alpha,6beta,7alpha,8abeta)]- 6-(Acetyloxy)-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-7-yl ester 3-methyl-2-butenoic acid
[4aS-[4aalpha,5alpha,6alpha(Z),7alpha,8aalpha]]-7-(Acetyloxy)-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid
[4S-[4alpha,4aalpha,5alpha,6alpha(Z),8aalpha]]-4-(Acetyloxy)-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid
4-hydroxy-3-[(2E)-4-hydroxy-3,7-dimethylocta-2,6-dienyl]-5-[(E)-4-hydroxy-3-methylbut-2-enyl]benzoic acid
4-hydroxy-3-[(E)-7-hydroxy-3,7-dimethyl-4-oxooct-5-enyl]-5-(3-methylbut-2-enyl)benzoic acid
15-methoxy-16-oxo-15,16H-strictic acid methyl ester|methyl ester of 15-methoxy-16-oxo-15,16H-strictic acid
rel-(7R,8S,1R,5R)-Delta8-7-hydroxy-3,4,5-trimethoxy-1,2,5,6-tetrahydro-2-oxo-8.1-neolignan
3-<((4E,6E,8E,)-dodeca-4,6,8-trienyl)oxy>-2-(4-hydroxybenzoyl)propan-1-ol|3-[((4E,6E,8E,)-dodeca-4,6,8-trienyl)oxy]-2-(4-hydroxybenzoyl)propan-1-ol
3alpha-hydroxy-19-acetoxyspongia-13(16),14-dien-2-one
(+)-3-<((4E,6E,8E,)-dodeca-4,6,8-trienyl)oxy>-1-(4-hydroxybenzoyl)propan-2-ol|(+)-3-[((4E,6E,8E,)-dodeca-4,6,8-trienyl)oxy]-1-(4-hydroxybenzoyl)propan-2-ol
8-Ac-8alpha-8,14-Dihydroxy-1(19),6,10,12-xenicateteraen-18,17-olide|xeniolide B|Xeniolide-B 9-Acetate
9alpha-Acetoxy-7beta-(angeloyloxy)longipinen-1-on|longipin-2-ene-7beta-angeloyloxy-9alpha-acetyloxy-1-one
11beta-acetoxy-5alpha-angeloyloxy-silphinen-3-one|11beta-acetoxy-5alpha-tigloyloxysilphinen-3-one
(1R,2S,3R,4R,14S,7E,11E)-14-acetoxy-3,4-epoxycembra-7,11,15-trien-16,2-olide|(7E,11E,1R,2S,3R,4R,14S)-14-acetoxy-3,4-epoxycembra-7,11,15-trien-17,2-olide
8-(4-Hydroxybenzoyl)-9,10-Epoxy-5-germacrene-4,8-diol
(8S,7S,8S)-7-hydroxy-3,4,3,4-tetramethoxy-8,8-neolignan
5alpha-O-p-hydroxybenzoyl akichenol|8-Daucene-2,4,6-triol-6-(4-Hydroxybenzoyl)
(1S,2S,6S,10S)-6-acetoxy-10-hydroxycembra-(3E,7E,11E,15)-tetraen-17,2-olide
(+)-7beta-acetoxy-18-oxo-3,13-clerodadien-16,15-olide|Ac-7beta-7-Hydroxy-18-oxo-3,13-clerodadien-16,15-olide
ent-8,9-seco-7alpha-hydroxy-11-acetoxykaura-8(14),16-dien-9,15-dione|ent-8,9-Seco-7??-hydroxy-11-acetoxykaura-8(14),16-dien-9,15-dione
15-epi-(4E)-jatrogrossidentadione acetate|6-O-acetyl-15-epi-(4E)-jatrogrossidentadione
ent-8,9-seco-7alpha-acetoxy-11beta-hydroxykaura-8(14),16-dien-9,15-dione|ent-8,9-Seco-7??-acetoxy-11??-hydroxykaura-(14),16-dien-9,15-dione
irciformonin E|rel-(2R,2S,5S)-5-[(4E)-7-(furan-3-yl)-4-methyl-2-oxohept-4-en-1-yl]hexahydro-2,5-dimethyl-[2,2-bifuran]-5(2H)-one
(1R,3S,4S,7S,11E,14S)-3,4-epoxy-7-acetoxycembra-11,15(17)-trien-16,14-olide|crassocolide K
20-acetoxy-4beta,5beta-epoxy-13-epi-neohomoverrucos-15(17)-en-16,12beta-olide
(+)-7beta-acetoxy-15,16-epoxy-3,13(16),14-clerodatrien-18-oic acid|7-alpha-acetoxyhardwickiic acid
3beta-angeloyloxy-8-oxoeremophila-6,9-dien-12-oic acid ethyl ester|3??-Angeloyloxy-8-oxoeremophila-6,9-dien-12-oic acid ethyl ester
(+)-(8S,8R)-4-hydroxy-3,3,4,5-tetramethoxylignan
A lignan that is 2,3-diemthylbutane substituted by a 3,4,5-trimethoxyphenyl group at position 1 and a 4-hydroxy-3-methoxyphenyl group at position 4. It has been isolated from the bark of Machilus robusta.
(-)-bornyl (E)-3,4,5-trimethoxycinnamate|(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid bornyl ester
3-(3,7-dimethyl-4-oxo-oct-6-enyl)-4-hydroxy-5-((E)-4-hydroxy-3-methyl-but-2-enyl)-benzoic acid
(3alpha,6beta,9alpha)-3-(acetyloxy)-15,16-epoxy-6,9-dihydroxylabda-13(16),14-dien-7-one|rel-(1R,4aR,7S,8aR)-7-(acetyloxy)-4-[2-(furan-3-yl)ethyl]octahydro-1,4-dihydroxy-3,4a,8,8-tetramethylnaphthalen-2(1H)-one
5alpha,6alpha-dimethoxy-7,11,14-trioxoabieta-8,12-diene|xantoquinone
11,12-didehydroleukamenin E|7alpha,14beta-dihydroxy-3beta-acetoxy-ent-kaur-11(12),16(17)-dien-15-one
(1S,8S,9S,10R,E)-8,9-dihydroxy-10-isopropyl-3-methyl-7-methylenecyclodec-3-enyl 4-hydroxybenzoate|syreiteate A
rel-(7R,8S,1R,3R,6S)-Delta8,4-3,4,3,6-tetramethoxy-8.1,7.O.6-neolignan
8-ethyl-(5H-furan-2-one)-14-acetyl-2-oxo-3,20Z(17)-diene clerodane|acetyl gomphostenin|gomphostenin A|gomphostenin-A
19-acetoxy-20-oxo-8(17),13-ent-labdadien-15->16 lactone
15,16-epoxy-12(R)-acetoxy-8(17),13(16),14-ent-labdatrien-19-oic acid
7alpha-hydroxy-3,12-dioxo-23,24-dinor-chol-4-en-22-oic acid|7alpha-Hydroxy-3,12-dioxo-23,24-dinor-chol-4-en-22-saeure|7alpha-hydroxy-3,12-dioxo-23,24-dinorchol-4-enoic acid
17-acetoxy-3,4,15,16-diepoxyisocleistanth-12-en-11-one
irciformonin K|rel-(2R,2S,5S)-5-[(1E,4E)-7-(2,5-dihydro-2-oxofuran-3-yl)-4-methylhepta-1,4-dien-1-yl]hexahydro-2,5-dimethyl-[2,2-bifuran]-5(2H)-one
1alpha,12beta-dihydroxy-6alpha-acetoxy-ent-kaura-9(11),16-dien-15-one
longipin-2-ene-7beta-acetyloxy-15-angeloyloxy-1-one
(1E,6E)-18-acetoxy-19-oxoxenica-1(9),6,13-trien-17,18-olide
rel-(3R,4S,5R,7S,9R)-3-acetoxy-9-(3-methyl-2-butenoyloxy)solavetivone
15-(6-methoxy-1,4-benzoquinon-2-yl)-2,4-pentadecadienoic acid|4,5-Dehydrosarcodontic acid
3alpha-acetoxy-19-hydroxyspongia-13(16),14-dien-2-one
5-acetoxymethyl-15,16-epoxy-9-methyl-17,19-dinor-8betaH-labda-3,13(16),14-trien-18-oic acid|5-Acetoxymethyl-15,16-epoxy-9-methyl-17,19-dinor-8betaH-labda-3,13(16),14-trien-18-saeure|Acetylhautriwaicsaeure|hautriwaic acid acetate|Hautriwaicacid-acetat
(1S,2S,6S,14S)-14-acetoxy-6-hydroxycembra-(3E,7E,11E,15)-tetraen-17,2-olide
19-O-acetyl-14-deoxy-11,12-didehydroandrographolide
Cicaprost
D000970 - Antineoplastic Agents C78568 - Prostaglandin Analogue
16-phenyl tetranor Prostaglandin E1
7-Ethylrosmanol
7-Ethylrosmanol is a natural product found in Salvia canariensis with data available.
Kongensin A
4-hydroxy-3-[(E)-7-hydroxy-3,7-dimethyl-4-oxooct-5-enyl]-5-(3-methylbut-2-enyl)benzoic acid
4-hydroxy-3-[(E)-7-hydroxy-3,7-dimethyl-4-oxooct-5-enyl]-5-(3-methylbut-2-enyl)benzoic acid [IIN-based: Match]
4-hydroxy-3-[(E)-7-hydroxy-3,7-dimethyl-4-oxooct-5-enyl]-5-(3-methylbut-2-enyl)benzoic acid [IIN-based on: CCMSLIB00000847652]
4-hydroxy-3-[(E)-7-hydroxy-3,7-dimethyl-4-oxooct-5-enyl]-5-(3-methylbut-2-enyl)benzoic acid_major
4-hydroxy-3-[(E)-7-hydroxy-3,7-dimethyl-4-oxooct-5-enyl]-5-(3-methylbut-2-enyl)benzoic acid_7.0\\%
4-hydroxy-3-[(2E)-4-hydroxy-3,7-dimethylocta-2,6-dienyl]-5-[(E)-4-hydroxy-3-methylbut-2-enyl]benzoic acid_49.7\\%
4-hydroxy-3-[(2E)-4-hydroxy-3,7-dimethylocta-2,6-dienyl]-5-[(E)-4-hydroxy-3-methylbut-2-enyl]benzoic acid_major
Methylprednisolon
H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AB - Glucocorticoids D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AA - Corticosteroids, combinations for treatment of acne D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AA - Corticosteroids, weak (group i) D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid COVID info from DrugBank, clinicaltrial, clinicaltrials, clinical trial, clinical trials D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D000893 - Anti-Inflammatory Agents D020011 - Protective Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Pregna-1,4-diene-3,11-dione, 17a,20b,21-trihydroxy-6a-methyl-
Pregna-1,4-diene-3,11-dione, 17,20,21-trihydroxy-6-methyl-, (6a,20S)-
16-phenyl tetranor PGF2&alpha
6-methylprednisolone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D000893 - Anti-Inflammatory Agents D020011 - Protective Agents
11beta-Hydroxy-3,20-dioxopregn-4-en-21-oic acid
Macrophorin B
11,12-Dimethylrosmanol
ST 22:4;O5
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D000893 - Anti-Inflammatory Agents D020011 - Protective Agents
4-Oxo-4-{[(17β)-3-oxoestr-4-en-17-yl]oxy}butanoic acid
Succinic acid mono-(13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[A]phenanthren-17-YL) ester
4-[(2R,3S)-2-ethyl-3-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]pentyl]-2-methoxyphenol
(8R,9R,10S,13S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-1,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
2-[(2Z)-2-[5-hydroxy-4-(3-hydroxy-4-methylnona-1,6-diynyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]ethoxy]acetic acid
(4Z,8E,10Z,12E,14E,16R,17S,19Z)-16,17-dihydroxy-7-oxodocosa-4,8,10,12,14,19-hexaenoic acid
(4Z,7S,8E,10Z,12E,14E,17S,19Z)-7,17-dihydroxy-16-oxodocosa-4,8,10,12,14,19-hexaenoic acid
(20S)-6alpha-Methyl-17,20,21-trihydroxypregna-1,4-diene-3,11-dione
7,12-Dihydroxypregna-1,4-diene-3-one-20-carboxylic acid
(10E,14E)-5-Acetoxy-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
(6S,8S,9R,10R,11R,13S,14S,17S)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
17-oxoresolvin D1
A resolvin that is docosa-4Z,9E,11E,13Z,15E,19Z-hexaenoic acid which is substituted by hydroxy groups at the 7 and 8 positions as well as an oxo group at the 17-position (the 7S,8R-stereoisomer).
8-oxoresolvin D1
A resolvin that is docosa-4Z,9E,11E,13Z,15E,19Z-hexaenoic acid which is substituted by hydroxy groups at the 7 and 17 positions as well as an oxo group at the 8-position (the 7S,17S-stereoisomer).
16-oxoresolvin D2
A member of the class of resolvins that is resolvin D2 in which the 16-hydroxy group has undergone formal oxidation to the corresponding ketone.
7-oxoresolvin D2
A member of the class of resolvins that is resolvin D2 in which the 7-hydroxy group has undergone formal oxidation to the corresponding ketone.
3-hydroxy-5-(hydroxymethyl)-2-{[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione
3-hydroxy-5,5,9-trimethyl-15-methylidene-16-oxo-11-oxapentacyclo[12.2.1.0¹,¹⁰.0⁴,⁹.0¹⁰,¹²]heptadecan-8-yl acetate
methyl (6e,7r)-7-hydroxy-3,7-dimethyl-6-[(3s)-3-methyl-2-oxononylidene]cyclopenta[c]pyran-5-carboxylate
(1r,4as,5r,8as)-5-[(2r)-2-(acetyloxy)-2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid
(2e,4e)-15-(5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)pentadeca-2,4-dienoic acid
(1s,4s,6s,9s,10s,11s,13s)-11-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-6-yl acetate
[(1r,2r,4ar,5r,8as)-2-hydroxy-1,4a-dimethyl-6-methylidene-5-[(1e)-2-(2-oxo-5h-furan-3-yl)ethenyl]-hexahydro-2h-naphthalen-1-yl]methyl acetate
6-(acetyloxy)-3,4a,5-trimethyl-4h,5h,6h,7h,9h-naphtho[2,3-b]furan-4-yl 3-methylbutanoate
8-formyl-3,4,8a-trimethyl-4-[2-(2-oxo-5h-furan-3-yl)ethyl]-1,2,3,4a,5,6-hexahydronaphthalen-2-yl acetate
5-hydroxy-5-isopropyl-2a,7a-dimethyl-hexahydro-1ah-azuleno[5,6-b]oxiren-6-yl 4-hydroxybenzoate
(5,6-dihydroxy-7-isopropyl-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2h-phenanthren-1-yl)methyl acetate
(1r,5r,6s,8r,9r,11r)-9-(acetyloxy)-5,7,7,11-tetramethyl-4-oxotricyclo[6.3.0.0¹,⁵]undec-2-en-6-yl (2z)-2-methylbut-2-enoate
(4s,6s)-6-[(2r,3r)-4-(3,4-dimethoxyphenyl)-3-hydroxybutan-2-yl]-4-methoxy-6-(prop-2-en-1-yl)cyclohex-2-en-1-one
(1r,9s,10s,13r)-3,10-dihydroxy-10-methyl-5-pentyl-13-(prop-1-en-2-yl)-8-oxatricyclo[7.4.0.0²,⁷]trideca-2,4,6-triene-4-carboxylic acid
(1s,5r,6s)-1-{[(1s,4ar,8ar)-5,5,8a-trimethyl-2-methylidene-6-oxo-hexahydronaphthalen-1-yl]methyl}-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
(1r,8s,9s,10s)-8-ethoxy-3,4-dihydroxy-5-isopropyl-11,11-dimethyl-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-trien-15-one
3-[3-acetyl-7-(1-hydroxyethyl)-3a,6-dimethyl-8-oxo-1h,2h,3h,4h,5h,9bh-cyclopenta[a]naphthalen-5a-yl]propanoic acid
(1r,5r,6s,8r,9r,11r)-9-[(1-hydroxyethenyl)oxy]-5,7,7,11-tetramethyl-4-oxotricyclo[6.3.0.0¹,⁵]undec-2-en-6-yl (2e)-2-methylbut-2-enoate
(4ar,10as)-6-(acetyloxy)-5-hydroxy-7-isopropyl-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
1-hydroxy-3,6,6,10,14-pentamethyl-2,13-dioxotricyclo[10.3.0.0⁵,⁷]pentadeca-11,14-dien-10-yl acetate
4-[(2s,3r)-2-ethyl-1-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]pentyl]-2-methoxyphenol
methyl 7-hydroxy-1,7-dimethyl-6-(3-methyl-2-oxononylidene)cyclopenta[c]pyran-5-carboxylate
(8e,11r,12r,13r)-12-isopropyl-5,9-dimethyl-3,15-dioxo-14-oxabicyclo[11.2.1]hexadeca-1(16),5,8-trien-11-yl acetate
[(1r,4as,10ar)-5,6-dihydroxy-7-isopropyl-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2h-phenanthren-1-yl]methyl acetate
1,7-dimethyl (2e,6e)-6-[3-(furan-3-yl)propylidene]-2-(4-methylpent-3-en-1-yl)hept-2-enedioate
(5r,6s,8r,9r,11r)-9-[(1-hydroxyethenyl)oxy]-5,7,7,11-tetramethyl-4-oxotricyclo[6.3.0.0¹,⁵]undec-2-en-6-yl (2z)-2-methylbut-2-enoate
2-(2-hydroxy-3,5-dimethoxy-4-methylphenyl)-6-methylhepta-1,5-dien-3-yl 2-methylbut-2-enoate
3-[(2r,4ar,5r,6s,8ar)-5,6,8a-trimethyl-hexahydro-1h-spiro[naphthalene-2,2'-oxiran]-5-ylmethyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione
2-{[(1s,4ar,5s,8ar)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl}-3-hydroxy-5-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione
(1r,3s,5s,8s,12e,15s)-5,13-dimethyl-9,18-dimethylidene-17-oxo-4,16-dioxatricyclo[13.3.0.0³,⁵]octadec-12-en-8-yl acetate
4-(acetyloxy)-3,4a,5-trimethyl-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-8-yl 3-methylbut-2-enoate
5'-(furan-3-yl)-2'-hydroxy-2,4a,5-trimethyl-2,3,4,7,8,8a-hexahydrospiro[naphthalene-1,3'-oxolan]-3-yl acetate
(4e,8e,11r,12r,13r)-12-isopropyl-5,9-dimethyl-3,15-dioxo-14-oxabicyclo[11.2.1]hexadeca-1(16),4,8-trien-11-yl acetate
[(1s,2r,4as,8as)-1,4a,5-trimethyl-7-oxo-1-[2-(2-oxo-5h-furan-3-yl)ethyl]-3,4,8,8a-tetrahydro-2h-naphthalen-2-yl]methyl acetate
(1s,3r,4r,6s,15s)-4,9,13-trimethyl-18-methylidene-17-oxo-5,16-dioxatricyclo[13.3.0.0⁴,⁶]octadeca-9,13-dien-3-yl acetate
2-{[(1s,4ar,5s,8as)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl}-3-hydroxy-5-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione
[(1r,4ar,5r,8as)-4a-formyl-1-methyl-6-methylidene-5-[2-(2-oxo-5h-furan-3-yl)ethyl]-hexahydro-2h-naphthalen-1-yl]methyl acetate
(4e,8e,11s,12s,13s)-12-isopropyl-5,9-dimethyl-3,15-dioxo-14-oxabicyclo[11.2.1]hexadeca-1(16),4,8-trien-11-yl acetate
[(8e,12e)-9,13-dimethyl-18-methylidene-17-oxo-4,16-dioxatricyclo[13.3.0.0³,⁵]octadeca-8,12-dien-5-yl]methyl acetate
6-hydroxy-3-(1-hydroxy-4-methylpent-3-en-1-yl)-7-methoxy-2,3,4-trimethyl-2h,6h,7h,8h-naphtho[1,2-b]furan-9-one
2-(3,4-dimethoxyphenyl)-5,7a-dimethoxy-3-methyl-3a-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1-benzofuran
(2r,3s,4r,4ar,8ar)-3,4,8,8a-tetramethyl-6-oxo-4-[2-(5-oxo-2h-furan-3-yl)ethyl]-2,3,4a,5-tetrahydro-1h-naphthalen-2-yl acetate
15,16-epoxy-12(r)-acetoxy-8(17),13(16),14-ent-labdatrien-19-oicacid
{"Ingredient_id": "HBIN001567","Ingredient_name": "15,16-epoxy-12(r)-acetoxy-8(17),13(16),14-ent-labdatrien-19-oicacid","Alias": "NA","Ingredient_formula": "C22H30O5","Ingredient_Smile": "CC(=O)OC(CC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C)C3=COC=C3","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7048","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
15-o-acetyl-15-epi-(4e)-jatrogrossidentadione
{"Ingredient_id": "HBIN001704","Ingredient_name": "15-o-acetyl-15-epi-(4e)-jatrogrossidentadione","Alias": "NA","Ingredient_formula": "C22H30O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "385","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7α-acetoxyroyleanone
{"Ingredient_id": "HBIN013034","Ingredient_name": "7\u03b1-acetoxyroyleanone","Alias": "NA","Ingredient_formula": "C22H30O5","Ingredient_Smile": "CC(C)C1=C(C2=C(C(=O)C1=O)C3(CCCC(C3CC2OC(=O)C)(C)C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "277","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8,9-epoxy-ferutinin
{"Ingredient_id": "HBIN013596","Ingredient_name": "8,9-epoxy-ferutinin","Alias": "NA","Ingredient_formula": "C22H30O5","Ingredient_Smile": "CC1=CCC2(C(CC(C2C(C1)OC(=O)C3=CC=C(C=C3)O)(C(C)C)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7097","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}