Exact Mass: 376.22094020000003
Exact Mass Matches: 376.22094020000003
Found 500 metabolites which its exact mass value is equals to given mass value 376.22094020000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Resolvin D1
Resolvin D1 (RvD1) is an autacoid resolvin. Autacoids are chemical mediators including the families of resolvins and protectins, defined by their potent bioactions and novel chemical structures. The bioactive local mediators, or autacoids, that require enzymatic generation from the omega-3 essential fatty acid EPA were first identified in resolving inflammatory exudates in vivo and carry potent stereoselective biological actions. Resolvins of the E (RvE) series are derived from eicosapentaenoic acid (EPA). Those derived from docosahexaenoic acid (DHA) were termed resolvins of the D series, for example resolvin D1 (RvD1).Resolvins and protectins have specific stereoselective actions which evoke biological actions in the nanogram range in vivo and are natural exudate products. Resolvins and protectins as distinct chemical families join the lipoxins as potent agonists of endogenous anti-inflammation and are proresolving chemical mediators of interest in human disease as potential new approaches to treatment. The term resolvins (resolution-phase interaction products) was first introduced to signify that these new structures were endogenous mediators, biosynthesized in the resolution phase of inflammatory exudates, possessing very potent anti-inflammatory and immunoregulatory actions. These actions include reducing neutrophil traffic, regulating cytokine and reactive oxygen species, and lowering the magnitude of the response. In recent years, investigators have recognized inflammation as playing a key role in many prevalent diseases not previously considered to be of inflammatory etiology. These include Alzheimers disease, cardiovascular disease, and cancer, which now join those well-appreciated inflammatory disorders such as arthritis and periodontal disease. Identifying the molecular mechanism(s) that underlie the many reports of the benefits of dietary omega-3 PUFAs remains an important challenge for nutrition and medicine. Thus, that these new mediator families, resolvins and protectins, are biosynthesized from EPA and DHA, act locally, and possess potent, novel bioactions is of interest to researchers. (PMID: 17090225).
Resolvin D2
Resolvin D2 is an autacoid resolvin. Autacoids are chemical mediators including the families of resolvins and protectins, defined by their potent bioactions and novel chemical structures. The bioactive local mediators, or autacoids, that require enzymatic generation from the omega-3 essential fatty acid EPA were first identified in resolving inflammatory exudates in vivo and carry potent stereoselective biological actions. Resolvins of the E (RvE) series are derived from eicosapentaenoic acid (EPA). Those derived from docosahexaenoic acid (DHA) were termed resolvins of the D series, for example resolvin D1 (RvD1).Resolvins and protectins have specific stereoselective actions which evoke biological actions in the nanogram range in vivo and are natural exudate products. Resolvins and protectins as distinct chemical families join the lipoxins as potent agonists of endogenous anti-inflammation and are proresolving chemical mediators of interest in human disease as potential new approaches to treatment. The term resolvins (resolution-phase interaction products) was first introduced to signify that these new structures were endogenous mediators, biosynthesized in the resolution phase of inflammatory exudates, possessing very potent anti-inflammatory and immunoregulatory actions. These actions include reducing neutrophil traffic, regulating cytokine and reactive oxygen species, and lowering the magnitude of the response. In recent years, investigators have recognized inflammation as playing a key role in many prevalent diseases not previously considered to be of inflammatory etiology. These include Alzheimers disease, cardiovascular disease, and cancer, which now join those well-appreciated inflammatory disorders such as arthritis and periodontal disease. Identifying the molecular mechanism(s) that underlie the many reports of the benefits of dietary omega-3 PUFAs remains an important challenge for nutrition and medicine. Thus, that these new mediator families, resolvins and protectins, are biosynthesized from EPA and DHA, act locally, and possess potent, novel bioactions is of interest to researchers. (PMID: 17090225) [HMDB] Resolvin D2 is an autacoid resolvin. Autacoids are chemical mediators including the families of resolvins and protectins, defined by their potent bioactions and novel chemical structures. The bioactive local mediators, or autacoids, that require enzymatic generation from the omega-3 essential fatty acid EPA were first identified in resolving inflammatory exudates in vivo and carry potent stereoselective biological actions. Resolvins of the E (RvE) series are derived from eicosapentaenoic acid (EPA). Those derived from docosahexaenoic acid (DHA) were termed resolvins of the D series, for example resolvin D1 (RvD1).Resolvins and protectins have specific stereoselective actions which evoke biological actions in the nanogram range in vivo and are natural exudate products. Resolvins and protectins as distinct chemical families join the lipoxins as potent agonists of endogenous anti-inflammation and are proresolving chemical mediators of interest in human disease as potential new approaches to treatment. The term resolvins (resolution-phase interaction products) was first introduced to signify that these new structures were endogenous mediators, biosynthesized in the resolution phase of inflammatory exudates, possessing very potent anti-inflammatory and immunoregulatory actions. These actions include reducing neutrophil traffic, regulating cytokine and reactive oxygen species, and lowering the magnitude of the response. In recent years, investigators have recognized inflammation as playing a key role in many prevalent diseases not previously considered to be of inflammatory etiology. These include Alzheimers disease, cardiovascular disease, and cancer, which now join those well-appreciated inflammatory disorders such as arthritis and periodontal disease. Identifying the molecular mechanism(s) that underlie the many reports of the benefits of dietary omega-3 PUFAs remains an important challenge for nutrition and medicine. Thus, that these new mediator families, resolvins and protectins, are biosynthesized from EPA and DHA, act locally, and possess potent, novel bioactions is of interest to researchers. (PMID: 17090225).
Prehumulone
Prehumulone is found in alcoholic beverages. Prehumulone is a minor constituent of hop
9alpha-(3-Methyl-2E-butenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate
9alpha-(3-Methyl-2E-butenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate is found in tea. 9alpha-(3-Methyl-2E-butenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate is a constituent of Tussilago farfara (coltsfoot). Constituent of Tussilago farfara (coltsfoot). 9alpha-(3-Methyl-2E-butenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate is found in tea.
Macrophorin C
Macrophorin C is found in pomes. Macrophorin C is from Macrophoma fruit ro From Macrophoma fruit rot. Macrophorin C is found in pomes.
9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate
9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate is found in tea. 9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate is a constituent of Tussilago farfara (coltsfoot). Constituent of Tussilago farfara (coltsfoot). 9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate is found in tea.
11beta-Hydroxy-3,20-dioxopregn-4-en-21-oic acid
11b-hydroxy-3,20-dioxopregn-4-en-21-oic acid or HDOPA is a major metabolite of corticosterone that is typically elevated in the liver. The in vivo conversion of corticosterone to DHOPA and then to HDOPA 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. Subsequent dehydrogenation of DHOPA to HDOPA may be done by one of several liver specfici dehydrogenases. Possible candidates include aldehyde dehydrogenase type 3, lactate dehydrogenase A4, or 11b-hydroxysteroid dehydrogenase I. HDOPA has also been identified as a biomarker that is elevated (3700 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-hydroxy-3,20-dioxopregn-4-en-21-oic acid or HDOPA is a major metabolite of corticosterone that is typically elevated in the liver. The in vivo conversion of corticosterone to DHOPA and then to HDOPA 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. Subsequent dehydrogenation of DHOPA to HDOPA may be done by one of several liver specfici dehydrogenases. Possible candidates include aldehyde dehydrogenase type 3, lactate dehydrogenase A4, or 11b-hydroxysteroid dehydrogenase I. HDOPA has also been identified as a biomarker that is elevated (3700 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).
14-Hydroxy-E4-neuroprostane
14-Hydroxy-E4-neuroprostane, also known as 14-E4-NeuroP or 14H-E4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 14-Hydroxy-E4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 14-hydroxy-E4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. Dinoprostone is equivalent to prostaglandin E2 (PGE2). It stimulates labor and delivery and thus terminates pregnancy. Dinoprostone is also capable of stimulating the smooth muscle of the gastrointestinal tract of man. This activity may be responsible for the vomiting and/or diarrhea that is not uncommon when dinoprostone is used to terminate pregnancy. [HMDB]
17-Hydroxy-E4-neuroprostane
17-Hydroxy-E4-neuroprostane, also known as 17-E4-NeuroP or 17H-E4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 17-Hydroxy-E4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 17-hydroxy-E4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. Dinoprostone is equivalent to prostaglandin E2 (PGE2). It stimulates labor and delivery and thus terminates pregnancy. Dinoprostone is also capable of stimulating the smooth muscle of the gastrointestinal tract of man. This activity may be responsible for the vomiting and/or diarrhea that is not uncommon when dinoprostone is used to terminate pregnancy. [HMDB]
20-Hydroxy-E4-neuroprostane
20-Hydroxy-E4-neuroprostane, also known as 20-E4-NeuroP or 20H-E4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 20-Hydroxy-E4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 20-Hydroxy-E4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. Dinoprostone is equivalent to prostaglandin E2 (PGE2). It stimulates labor and delivery and thus terminates pregnancy. Dinoprostone is also capable of stimulating the smooth muscle of the gastrointestinal tract of man. This activity may be responsible for the vomiting and/or diarrhea that is not uncommon when dinoprostone is used to terminate pregnancy. [HMDB]
4-Hydroxy-D4-neuroprostane
4-Hydroxy-D4-neuroprostane, also known as 4-D4-NeuroP or 4H-D4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 4-Hydroxy-D4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 4-hydroxy-D4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. Dinoprostone is equivalent to prostaglandin E2 (PGE2). It stimulates labor and delivery and thus terminates pregnancy. Dinoprostone is also capable of stimulating the smooth muscle of the gastrointestinal tract of man. This activity may be responsible for the vomiting and/or diarrhea that is not uncommon when dinoprostone is used to terminate pregnancy. [HMDB]
7-Hydroxy-D4-neuroprostane
7-Hydroxy-D4-neuroprostane, also known as 7-D4-NeuroP or 7H-D4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 7-Hydroxy-D4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 7-hydroxy-D4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. Dinoprostone is equivalent to prostaglandin E2 (PGE2). It stimulates labor and delivery and thus terminates pregnancy. Dinoprostone is also capable of stimulating the smooth muscle of the gastrointestinal tract of man. This activity may be responsible for the vomiting and/or diarrhea that is not uncommon when dinoprostone is used to terminate pregnancy. [HMDB]
10-Hydroxy-D4-neuroprostane
10-Hydroxy-D4-neuroprostane, also known as 10-D4-NeuroP or 10H-D4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 10-Hydroxy-D4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 10-hydroxy-D4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space.
10-Hydroxy-E4-neuroprostane
10-Hydroxy-E4-neuroprostane, also known as 10-E4-NeuroP or 10H-E4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 10-Hydroxy-E4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 10-hydroxy-E4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space.
11-Hydroxy-D4-neuroprostane
11-Hydroxy-D4-neuroprostane, also known as 11-D4-NeuroP or 11H-D4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 11-Hydroxy-D4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 11-hydroxy-D4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space.
11-Hydroxy-E4-neuroprostane
11-Hydroxy-E4-neuroprostane, also known as 11-E4-NeuroP or 11H-E4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 11-Hydroxy-E4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 11-hydroxy-E4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space.
7,8,17-trihydroxy-4,9,11,13,15,19-docosahexaenoic acid
ent-6beta,17-Diacetoxy-14,15-dinor-7,11E-labdadien-13-one
ent-1alpha-Acetoxy-7beta,14alpha-dihydroxykaur-16-en-15-one
Methyl ent-16-acetoxy-8-oxo-8-desmethyl-6,13E-labdadien-15-oate
Ent-19-acetoxy-15,16-epoxy-3,13(16),14-clerodatrien-6,18-diol
(2E)-3-(Acetoxymethyl)-5-[(1S,4aR,8aR)-2-formyl-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2-pentenoic acid
Resolvin D3
A member of the class of resolvins that is (5Z,7E,9E,13Z,15E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 4, 11 and 17 (the 4S,11R,17S-stereoisomer). CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0210.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0210.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0210.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000141.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000141.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000141.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000141.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000141.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000141.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
(2S,5S,13Z)-5-acetoxy-2-hydroxy-10-oxo-4,10-secospata-13(15),17-dien-12-al
7alpha,12alpha-dihydroxy-3-oxo-23,24-dinorchol-4-enoic acid
1-hydroxyialibinone D|rel-(2R,3aR,7R,8aR)-1,2,3,7,8,8a-hexahydro-6-hydroxy-2-(1-hydroxy-1-methylethyl)-1,1,7-trimethyl-5-(2-methylbutanoyl)-4H-3a,7-methanoazulene-4,9-dione
15-methoxy-16-oxo-15,16H-hardwickiic acid methyl ester|methyl ester of 15-methoxy-16-oxo-15,16H-hardwickiic acid
(2S,5R,13Z)-2-acetoxy-5-hydroxy-10-oxo-4,10-secospata-13(15),17-dien-12-al
ent-18-acetoxy-3beta,7alpha-dihydroxykaur-15-en-17-al
1-epi-sinulariolide acetate|11-Epi-sinulariolide acetate
ent-3beta-acetoxy-7alpha,18-dihydroxykaur-15-en-17-al
(1alpha,3beta,5beta,9beta,10alpha,11beta,13beta)-1,11,16-trihydroxyabieta-6,8(14),15(17)-trien-3-yl acetate|ent-abienervonin B
4-Ketone,11-Ac-(4beta,11beta)-2,9:3,16-Diepoxy-7(19)-asbestinene-4,11-diol|?藛7(19)-Isomer,4-ketone,11-deacyl,11-Ac-Asbestinin 2
2-Acetoxy-2,5,5,8a-tetramethyldispiro[decalin-1,2-oxolane-5,3(2H)-furan]-3-one
9-Ac-(ent-15beta)-9, 15-Dihydroxy-16-kauren-19-oic acid
(8E,11R,12R,13R)-11-(acetyloxy)-5,9-dimethyl-12-(1-methylethyl)-14-oxabicyclo[11.2.1]hexadeca-1(16),8-diene-3,15-dione|sacrophytonolide J|sarcophytonolide J
(2R,3R,4S,6E,9E,10R)-17-acetoxyxenic-4-hydroxy-6,9,13-trien-1,2-dial|17-Ac-(1(9)E,4S,6E,10R)-4,17-Dihydroxy-1(9),6,13-xenicatriene-18,19-dial
11R*-acetoxy-2-oxo-neocleroda-3,13E-dien-15-oic acid|11R*-acetoxy-2-oxokolavenic acid
1,15-Lactone,11-Ac-9,11,15-Trihydroxyprosta-5,13,17-trienoic acid,9CI|prostaglandin F3alpha 1,15-lactone 11-acetate
irciformonin A|irciformonin J|rel-(5R)-5-[(1S,5E,8E)-11-(furan-3-yl)-1,4-dihydroxy-4,8-dimethylundeca-5,8-dien-1-yl]dihydro-5-methylfuran-2(3H)-one
8-(4-Hydroxybenzoyl)-4(15)-Germacrene-6,8,10-triol
(-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-15-acetoxy-5,6-epoxylathyr-12-en-3-ol-14-one
A lathyrane diterpenoid isolated from the roots of Euphorbia micractina.
(-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3-acetoxy-5,6-epoxylathyr-12-en-15-ol-14-one
A lathyrane diterpenoid isolated from the roots of Euphorbia micractina.
6beta-acetoxy-7beta-hydroxyvouacapen-5alpha-ol|pulcherrin F
6beta-hydroxy-7beta-acetoxyvouacapen-5alpha-ol|pulcherrin E
ent-18-acetoxy-7alpha,14beta-dihydroxykaur-16-en-15-one
(1aR,3aR,5E,7S,12R,13aR)-4,7,8,9,10,11,12,13-octahydro-3a-hydroxy-5,13,13-trimethyl-9-methylidene-3aH-1a,12-ethanocyclododeca[b]oxireno[c]furan-7(2H)-yl acetate|cespitulin G
8-Acetoxy-15,16-epoxy-8,9-secolabda-13(16),14-diene-7,9-dione
Cadlinolide B acetate; Tetrahydroaplysulphurin-1|tetrahydroaplysulfurin-1|Tetrahydroaplysulphurin-1
1-Demethylthio-1-hydroxy-lincomycin
C17H32N2O7 (376.22094020000003)
(1S*,4S*,5S*,9R*,11S*,13E)-16-O-acetyl-15-hydroxy-4,5-epoxyxeniaphylla-8(19),13-dien-12-one|gibberosin H
2beta-acetoxy-6beta-angeloyloxy-7alpha-hydroxyoplopa-3(14)Z,8(10)-diene|3-Ac,8-angeloyl-(3beta,4Z,8beta,9alpha)-4,10(14)-Oplopadiene-3,8,9-triol
ent-12beta-acetoxy-15beta-hydroxykaur-16-en-19-oic acid
16-acetoxy-2-oxo-ent-labda-8(17),13Z-dien-15-oic acid
2beta-acetoxy-7alpha-angeloyloxy-6beta-hydroxyoplopa-3(14)Z,8(10)-diene|3-Ac,9-angeloyl-(3beta,4Z,8beta,9alpha)-4,10(14)-Oplopadiene-3,8,9-triol
1alpha-acetoxy-8alpha-angeloyloxy-10alphaH-eremophil-11(13)-en-9-one
17-acetoxy-14beta-hydroxy-15,16-epoxycleistanth-12-en-11-one
8-Me ether,di-Ac-(8S,9R,10S)-1-Heptadecene-11,13-diyne-8,9,10-triol
Ac-(ent-3beta,4beta,6beta,12Z)-3,4-Epoxy-6-hydroxy-12,14-clerodadien-20-oic acid|heteroscyphic acid C
16-Ac-15,16-Dihydroxy-3-erythroxylene-2,7-dione|16-O-acetyl-2,7-dioxofagonene
4a,10beta-epoxy-7-hydroxy-8-isopropyl-9,9-dimethoxy-1,1-dimethyl-2,3,4,4a,5,10,11,11abeta-octahydro-1H-dibenzo[a,d]cycloheptan-6(9H)-one|abrotanone
rel-(3R,4S,5R,7S,9R)-3-acetoxy-9-(3-methylbutanoyloxy)solavetivone
methyl ent-16,17-dihydroxykauran-19-oic acid 16,17-acetonide
Rosthornin A
ent-12beta-acetoxy-7beta-hydroxykaur-16-en-19-oic acid
4,7:14,16-Diepoxy-1(14),11,15-cembratriene-2,3-diol-2-Ac
ent-11alpha-acetoxy-7beta,14alpha-dihydroxy-16-kauren-15-one|ent-11alpha-acetoxy-7beta,14alpha-dihydroxykaur-16-en-15-one|ent-11??-Acetoxy-7??,14??-dihydroxykaur-16-en-15-one
RVD1
Chemical was purchased from CAY10012554 (Lot 0444872-22).; Diagnostic ions: 375.1, 276.7, 232.9, 203.0, 170.8, 141.0
C22H32O5_2-Pentenoic acid, 3-[(acetyloxy)methyl]-5-[(1S,4aR,8aR)-2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-1-naphthalenyl]-, (2E)
C22H32O5_(2E)-3-(Acetoxymethyl)-5-[(1R,4aR,8aS)-2,5,5,8a-tetramethyl-4-oxo-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2-pentenoic acid
C22H32O5_10H-Azuleno[4,5,6-cd]isobenzofuran-10-one, 9-(acetyloxy)-2,3,4,5,5a,6,7,7a,8,9,10a,10b-dodecahydro-3-hydroxy-5a,7a-dimethyl-8-(1-methylethyl)-, (3S,5aR,7aR,8R)
(E)-5-[(1S,4aR,8aR)-2-formyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-(acetyloxymethyl)pent-2-enoic acid
Resolvin D1-[d5]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0152.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0152.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0152.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001333.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001333.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001333.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001333.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001333.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001333.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
Resolvin D2-[d5]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0197.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0197.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0197.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000129.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000129.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000129.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000129.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000129.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000129.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
Resolvin D4
A member of the class of resolvins that is (6E,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 4, 5 and 17 (the 4S,5R,17S-stereoisomer).
HDOPA
Prehumulone
Macrophorin C
9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate
9alpha-(3-Methyl-2E-butenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate
FA 22:6;O3
Resolvin D2
A member of the class of resolvins that is (4Z,8E,10Z,12E,14E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 7, 16 and 17 (the 7S,16R,17S-stereoisomer).
7-Octenoic acid, 5,6-dihydroxy-8-(2-((1E,3R)-3-hydroxy-1-octenyl)phenyl)-, (5S,6R,7E)-
(4S,5R,6E,8E,10Z,13Z,15E,17S,19Z)-4,5,17-trihydroxydocosa-6,8,10,13,15,19-hexaenoic acid
(4S,5R,6E,8E,10Z,13Z,15E,17R,19Z)-4,5,17-trihydroxydocosa-6,8,10,13,15,19-hexaenoic acid
2-(1-Oxo-4-methylpentyl)-3,5,6-trihydroxy-4,6-bis(3-methyl-2-butenyl)-2,4-cyclohexadien-1-one
(4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7-hydroperoxy-17-hydroxydocosa-4,8,10,13,15,19-hexaenoic acid
7,8,17-Trihydroxy-4,9,11,13,15,19-docosahexaenoic acid
10(R),17(S),20-trihydroxydocosa-4Z,7Z,11E,13E,15Z,19Z-hexaenoic acid
(1R,5R,6R)-5-hydroxy-4-(hydroxymethyl)-1-[(2E,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-2-one
aspirin-triggered resolvin D2
A member of the class of resolvins that is (4Z,8E,10Z,12E,14E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 7, 16 and 17 (the 7S,16R,17R-stereoisomer).
3-hydroxy-3-[(2R,15S,17S)-17-hydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-yl]propanoic acid
7-Acetoxy-6-hexyl-3,4-dihydro-2-methyl-2H-1-benzopyran-2-ethanol acetate
aspirin-triggered resolvin D1
A member of the class of resolvins that consists of docosa-4Z,9E,11E,13Z,15E,19Z-hexaenoic acid carrying three hydroxy substituents at positions 7, 8, and 17 (the 7S,8R,17S-stereoisomer).
4(S)-hydroperoxy-17(S)-hydroxydocosahexaenoic acid
A hydroperoxy fatty acid that is (5E,7Z,10Z,13Z,15E,19Z)-docosa-5,7,10,13,15,19-hexaenoic acid carrying a hydroperoxy group at the 4S-position and a hydroxy group at the 17S-position.
4(S)-hydroperoxy-17(R)-hydroxydocosahexaenoic acid
A hydroperoxy fatty acid that is (5E,7Z,10Z,13Z,15E,19Z)-docosa-5,7,10,13,15,19-hexaenoic acid carrying a hydroperoxy group at the 4S-position and a hydroxy group at the 17R-position.
aspirin-triggered resolvin D4
A member of the class of resolvins that is (6E,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 4, 5 and 17 (the 4S,5R,17R-stereoisomer).
(4Z,7R,8E,10Z,12E,14E,17S,19Z)-7,16,17-trihydroxydocosa-4,8,10,12,14,19-hexaenoic acid
5,6-Dihydroxy-2,6-bis(3-methylbut-2-enyl)-4-(4-methylpentanoyl)cyclohex-4-ene-1,3-dione
22-hydroxyprotectin D1
A docosanoid that is protectin D1 in which one of the terminal methyl hydrogens has been replaced by a hydroxy group. An intermediate of specialised proresolving mediators
7(S)-hydroperoxy-17(R)-hydroxydocosahexaenoic acid
A hydroperoxy fatty acid that is (4Z,8E,10Z,13Z,15E,19Z)-docosa-4,8,10,13,15,19-hexaenoic acid carrying a hydroperoxy group at the 7S-position and a hydroxy group at the 17R-position. It is an intermediate involved in the resolvin D1 biosynthesis pathway.
aspirin-triggered resolvin D3
A member of the class of resolvins that is (5Z,7E,9E,13Z,15E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 4, 11 and 17 (the 4S,11R,17R-stereoisomer)
Epoxypholamin E, (rel)-
A natural product found in Paraconiothyrium species.
yanuthone H
A class I yanuthone that is 22-deacetoxyyanuthone A in which one of the hydrogens of the trans-terminal methyl groups of the sesquiterpenoid side-chain has been replaced by a hydroxy group.
(1as,1bs,3r,3ar,5s,7br,9r,9ar)-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-5-[(2s)-oxiran-2-yl]-1h,1bh,2h,3h,3ah,4h,6h,8h,9h,9ah-cyclopropa[a]phenanthren-9-yl acetate
4,8,11,15-tetramethyl-9-oxo-10,18-dioxatetracyclo[9.7.0.0²,⁷.0³,¹⁷]octadec-14-en-4-yl acetate
methyl (2e)-5-[(1s,4ar,8ar)-5,5,8a-trimethyl-2-oxo-4a,6,7,8-tetrahydro-1h-naphthalen-1-yl]-3-[(acetyloxy)methyl]pent-2-enoate
(1s,9s,11r)-5-hydroxy-6-isopropyl-7,7-dimethoxy-12,12-dimethyl-16-oxatetracyclo[7.6.1.0¹,¹¹.0³,⁸]hexadeca-3(8),5-dien-4-one
3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-5-(oxiran-2-yl)-1h,1bh,2h,3h,3ah,4h,6h,8h,9h,9ah-cyclopropa[a]phenanthren-9-yl acetate
(5r)-5-{[(1s,4ar,5r,8ar)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl}-5-hydroxy-2-(hydroxymethyl)cyclohex-2-ene-1,4-dione
5,12-dioxo-3-pentyl-3h,6h,7h,8h,11h,11ah,13h,14h,14ah-cyclopenta[e]oxacyclotridecan-14-yl acetate
(1r,4r,5r,9s,10s,13r)-13-hydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-11-yl acetate
methyl (6e,7s,7ar)-7-hydroxy-3,7-dimethyl-6-[(3s)-3-methyl-2-oxononylidene]-1h,7ah-cyclopenta[c]pyran-5-carboxylate
(2r,4r,4as,4bs,5r,7s,10as)-4,5-dihydroxy-7-(3-hydroxyprop-1-en-2-yl)-1,1,4a-trimethyl-2,3,4,4b,5,6,7,10a-octahydrophenanthren-2-yl acetate
(1s,3s,4e,7e,11r,12s)-3-hydroxy-4,8,12-trimethyl-15-methylidene-14-oxo-13-oxabicyclo[10.3.2]heptadeca-4,7-dien-11-yl acetate
2-(acetyloxy)-4a,5-dimethyl-7-oxo-3-(prop-1-en-2-yl)-octahydronaphthalen-1-yl 2-methylbut-2-enoate
3-[1-(4,4,7a-trimethyl-hexahydro-1h-inden-1-yl)ethenyl]-5-oxo-tetrahydro-2h-furo[2,3-b]furan-2-yl acetate
(2r)-2-[(1r,3s)-1,3-dimethoxy-5-[(1s)-1,3,3-trimethylcyclohexyl]-1,3-dihydro-2-benzofuran-4-yl]propanoic acid
(3ar,5s,6r,15as)-6-hydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-3ah,4h,5h,7h,8h,11h,12h,15h,15ah-cyclotetradeca[b]furan-5-yl acetate
2,16-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-11-yl acetate
5,10,17,17-tetramethyl-14-methylidene-15-oxo-4,9-dioxatetracyclo[11.3.1.0³,⁵.0⁸,¹⁰]heptadecan-12-yl acetate
(3as,4s,6r,7s)-7-[2-(acetyloxy)propan-2-yl]-1,4-dimethyl-2-oxo-3a,4,5,6,7,8-hexahydro-3h-azulen-6-yl (2z)-2-methylbut-2-enoate
(1z,2s,3ar,5s,6s,7s,7ar)-2-(acetyloxy)-1-ethylidene-6-hydroxy-7-isopropyl-4-methylidene-hexahydro-2h-inden-5-yl (2z)-2-methylbut-2-enoate
(2z)-5-[(1r,4ar,8as)-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1h-naphthalen-1-yl]-3-[(acetyloxy)methyl]pent-2-enoic acid
(1s,2s,5s,8s,9r,11r,13s,16s,18r)-16-ethoxy-13,18-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-7-one
5-hydroxy-1-[1-hydroxy-3-methyl-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-en-1-yl]-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
(1s,2s,3r,4r,7s,8r,11s,14z,17s)-4,8,11,15-tetramethyl-9-oxo-10,18-dioxatetracyclo[9.7.0.0²,⁷.0³,¹⁷]octadec-14-en-4-yl acetate
(6r)-6-[(1e,3r,4e)-5-[(2r,6r)-6-ethyl-5-methyl-3,6-dihydro-2h-pyran-2-yl]-3-methylhexa-1,4-dien-1-yl]-3-(hydroxymethyl)-4-methoxy-5,6-dihydropyran-2-one
3-hydroxy-5,5,9,15-tetramethyl-16-oxo-11-oxapentacyclo[12.2.1.0¹,¹⁰.0⁴,⁹.0¹⁰,¹²]heptadecan-8-yl acetate
(1r,4s,5r,6s,9r,10s,11s,13s)-11-hydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-6-yl acetate
(1r,2r,3s,4s,5s,7r,8s,11s,17r)-5,8,11-trimethyl-15-methylidene-12-oxo-10,18-dioxatetracyclo[9.7.0.0²,⁷.0³,¹⁷]octadecan-4-yl acetate
5,7-dimethoxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.0⁴,¹².0⁸,¹²]tetradec-3-en-2-yl 2-methylbut-2-enoate
[(1s,4s,4ar,8as)-4-(acetyloxy)-5,5,8a-trimethyl-1-[(1e)-3-oxobut-1-en-1-yl]-1,4,4a,6,7,8-hexahydronaphthalen-2-yl]methyl acetate
(1r,4s,5r,9r,10s,11s,13r)-13-hydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-11-yl acetate
(1r,3s,5s,8s,10s,12r,13r)-5,10,17,17-tetramethyl-14-methylidene-15-oxo-4,9-dioxatetracyclo[11.3.1.0³,⁵.0⁸,¹⁰]heptadecan-12-yl acetate
(1r,2r,3s,8ar,10ar)-3-hydroxy-5-(hydroxymethyl)-1-isopropyl-8a,10a-dimethyl-6-oxo-1h,2h,3h,7h,8h,9h,10h-cyclohexa[f]azulen-2-yl acetate
1-acetyl-6-(acetyloxy)-7-isopropyl-4-methylidene-octahydroinden-2-yl 2-methylbut-2-enoate
(1r,2s,5r,7r,8s,9s,10s,11r)-7,9-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-10-yl acetate
(1r,2s,4e,8e,12r,13r)-12-hydroxy-4,8,12-trimethyl-16-methylidene-15-oxo-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl acetate
(1r,5s,6r)-1-{[(1s,4ar,5r,8ar)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl}-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
(1r,2s,5s,6r,9s,13r)-14-formyl-2-hydroxy-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-6-yl acetate
(1s,3s,4s,6s,9r,10s,11s,13s)-6,11-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-3-yl acetate
10a-hydroxy-4,4,7,11b-tetramethyl-9-oxo-1h,2h,3h,4ah,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-5-yl acetate
2a,4-dihydroxy-6,8b-dimethyl-6-(oxiran-2-yl)-1h,2h,2bh,3h,4h,4ah,5h,7h,9h,10h,10ah-cyclobuta[a]phenanthren-10-yl acetate
(1s,2r,4ar,8ar)-1-(acetyloxy)-1,4a-dimethyl-6-oxo-7-(propan-2-ylidene)-hexahydronaphthalen-2-yl 2-methylbut-2-enoate
12-isopropyl-5,9-dimethyl-3,15-dioxo-14-oxabicyclo[11.2.1]hexadeca-1(16),8-dien-11-yl acetate
7-{2-[3-(acetyloxy)oct-1-en-1-yl]-5-oxocyclopent-3-en-1-yl}hept-5-enoic acid
(1s,4ar,5r,6as,7r,11as,11bs)-1,4a-dihydroxy-4,4,7,11b-tetramethyl-1h,2h,3h,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-5-yl acetate
5-hydroxy-4-(hydroxymethyl)-1-{[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl}-7-oxabicyclo[4.1.0]hept-3-en-2-one
(2''r,3r,4''as,5's,8''as)-2'',5'',5'',8''a-tetramethyl-3''-oxo-4''a,6'',7'',8''-tetrahydro-2h,4''h-dispiro[furan-3,2'-oxolane-5',1''-naphthalen]-2''-yl acetate
[(1r,2s,4r,5s,6r,9s,10s,13r)-14-formyl-2,6-dihydroxy-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-5-yl]methyl acetate
18-acetoxy-7α,14β-dihydroxykaur-16-en-15-one
{"Ingredient_id": "HBIN002085","Ingredient_name": "18-acetoxy-7\u03b1,14\u03b2-dihydroxykaur-16-en-15-one","Alias": "NA","Ingredient_formula": "C22H32O5","Ingredient_Smile": "CC(=O)OCC1(CCCC2(C1CC(C34C2CCC(C3O)C(=C)C4=O)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "173","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1β-acetoxy-7α,14β-dihydroxykaur-16-en-15-one
{"Ingredient_id": "HBIN002380","Ingredient_name": "1\u03b2-acetoxy-7\u03b1,14\u03b2-dihydroxykaur-16-en-15-one","Alias": "NA","Ingredient_formula": "C22H32O5","Ingredient_Smile": "CC(=O)OC1CCC(C2C1(C3CCC4C(C3(C(C2)O)C(=O)C4=C)O)C)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "171","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}