Exact Mass: 298.1351874
Exact Mass Matches: 298.1351874
Found 252 metabolites which its exact mass value is equals to given mass value 298.1351874,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Toxin T2 tetrol
T-2 Tetraol is a type-A trichothecene mycotoxin produced by different Fusarium species, including F. soprotrichioides, F. poae, and F. acuinatum that contaminate feedstuffs and cereal grains (PMID: 11843402, 31683661). T-2 Tetraol shows the highest toxicity in animals compared to other trichothecenes. It contains a tetracyclic sesquiterpenoid 12,13-epoxytrichothec-9-ene ring which is responsible for the high toxicological activity (PMID: 12749813). In T-2 Tetraol, a carbonyl group at the C-8 position is substituted by an ester. T-2 Tetraol is resistant to light and temperature, but sensitive to strong acid or alkaline conditions. Some coexisting bacteria or fungi can detoxify T-2 Tetraol by altering its structure. It is associated with a wide range of effects in animals including weight loss, diarrhea, lethargy, low plasma glucose, decreases in blood cell and leukocyte count. damage to cartilaginous tissues, and induction of apoptosis (PMID: 21417259). D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins Mycotoxin from Fusarium poae and Fusarium sporotrichioides
3,7,8,15-Scirpenetetrol
3,7,8,15-Scirpenetetrol is a mycotoxin from Fusarium graminearum. Mycotoxin from Fusarium graminearum
N-Desmethyl Olanzapine
C16H18N4S (298.12521080000005)
4-N-desmethylolanzapine is a metabolite of olanzapine. Olanzapine (trade name Zyprexa or in combination with fluoxetine Symbyax) is an atypical antipsychotic, approved by the FDA for the treatment of schizophrenia and bipolar disorder. Olanzapine is structurally similar to clozapine, but is classified as a thienobenzodiazepine. The olanzapine formulations are manufactured and marketed by the pharmaceutical company Eli Lilly and Company; the drug went generic in 2011. Sales of Zyprexa in 2008 were $2.2B in the US alone, and $4.7B in total. (Wikipedia)
Nialamide
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AF - Monoamine oxidase inhibitors, non-selective D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
Piribedil
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents > N04BC - Dopamine agonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist Piribedil is a potent and orally active dopamine D2 and dopamine D3 agonist. Piribedil is also a α2-adrenoceptors antagonist. Piribedil can inhibit MLL1 methyltransferase activity (EC50: 0.18 μM). Piribedil has the potential for the research of parkinson's disease, circulatory disorders, cancers[1][2][3][4].
2-(1-Methyl-1H-pyrrol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile
N1-Acetyl-2-cyano-3-(4-phenylpiperazino)acrylamide
Nialamide
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AF - Monoamine oxidase inhibitors, non-selective D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
Hydroheptilidic-acid
[Raw Data] CBA58_Hydrohepteli_pos_50eV.txt [Raw Data] CBA58_Hydrohepteli_pos_40eV.txt [Raw Data] CBA58_Hydrohepteli_pos_30eV.txt [Raw Data] CBA58_Hydrohepteli_pos_20eV.txt [Raw Data] CBA58_Hydrohepteli_pos_10eV.txt
1-alpha-hydroxy-3-deoxypseudoanisatin|1alpha-hydroxy-3-deoxypseudoanisatin|1??-Hydroxy-3-deoxypseudoanisatin
4E-1beta-hydroperoxy-3beta,11beta-dihydroxygermacra-4(5),10(14)-dien-12,6alpha-olide
rel-5-(1R,5S-dimethyl-3R,4R,8S-trihydroxy-7-oxabicyclo[3,2,1]oct-8-yl)-3-methyl-2Z,4E-pentadienoic acid
2-isopropyl-5-methyl-p-hydroquinone-4-O-beta-xylopyranoside
1alpha-hydroxy-6-deoxypseudoanisatin|1??-Hydroxy-6-deoxypseudoanisatin
2-C-methyl-D-erythritol 3-O-beta-D-glucopyranoside|2-C-Methyl-D-erythritol 3-O-??-D-glucopyranoside
(3-Phenyl-propyl)-beta-D-glucopyranosid|(3-phenyl-propyl)-beta-D-glucopyranoside|3-phenyl-1-propanol beta-D-glucopyranoside|3-phenylpropan-1-ol beta-D-glucopyranoside|3-phenylpropyl beta-D-glucopyranoside
2-C-methyl-D-erythritol 4-O-beta-D-fructofuranoside|2-C-Methyl-D-erythritol 4-O-??-D-fructofuranoside
(2R,2aR,4aS,5R,8R,8aS,8bS,9S)-octahydro-2,2a-dihydroxy-9-(2-hydroxy-1-methylethyl)-8b-methyl-5,6-methano-1,7dioxacyclopent[cd]azulen-6(2H)-one|dendronobilin C
3alpha-hydroxy-5beta-(4-hydroxytigloyloxy)-7-hydroxycarvotanacetone
2-Isobutyl-5-(1H-indole-3-yl)oxazole-4-carboxylic acid methyl ester
(2aR,10aS)-3t,4,10t-Trihydroxy-2a,3c,8c-trimethyl-(2ar)-hexahydro-4c,7ac-methano-cyclopent[b]oxeto[2,3-c]oxocin-6-on|(2aR,10aS)-3t,4,10t-trihydroxy-2a,3c,8c-trimethyl-(2ar)-hexahydro-4c,7ac-methano-cyclopent[b]oxeto[2,3-c]oxocin-6-one
2-(Dimethylamino)-5-(1H-indole-3-yl)-5-(2-oxopropyl)-2-imidazoline-4-one
2-C-methyl-D-erythritol 3-O-beta-D-fructofuranoside|2-C-Methyl-D-erythritol 3-O-??-D-fructofuranoside
2-C-methyl-D-erythritol 1-O-beta-D-glucopyranoside|2-C-Methyl-D-erythritol 1-O-??-D-glucopyranoside
2-C-methyl-D-erythritol 1-O-beta-D-fructofuranoside|2-C-Methyl-D-erythritol 1-O-??-D-fructofuranoside
7,9,10-trihydroxy-4-oxobisabol-2,11-dien-13-oic acid
3-deoxy-10alpha(14)-epoxy-11alpha,13-dihydroxy-11,13-dihydroamphoricarpolide
2-C-methyl-D-erythritol 4-O-beta-D-glucopyranoside|2-C-Methyl-D-erythritol 4-O-??-D-glucopyranoside
3-(3,4,5-Trimethoxyphenyl)-3-methoxy-1-propanol acetate
3-hydroxy-4-(2,6,7-trihydroxy-6-methylheptan-2-yl)benzoic acid
C15H22O6_(2E)-3-[(3aS,4S,5R,7aS)-7a-Hydroxy-5-isopropyl-3-oxooctahydro-2-benzofuran-4-yl]-2-(hydroxymethyl)acrylic acid
C15H22O6_(3beta,4alpha,8alpha)-12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol
C15H22O6_Methyl 2-(1,3,5-trihydroxy-4a-methyl-8-oxodecahydro-2-naphthalenyl)acrylate
[2-[(E)-3,4-dihydroxypent-1-enyl]-6-oxooxan-3-yl] (E)-2-methylbut-2-enoate
methyl 2-(1,3,5-trihydroxy-4a-methyl-8-oxo-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoate
T-2 Tetraol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE isolated standard
T-2 Tetraol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
methyl 2-(1,3,5-trihydroxy-4a-methyl-8-oxo-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoate_major
[2-[(E)-3,4-dihydroxypent-1-enyl]-6-oxooxan-3-yl] (E)-2-methylbut-2-enoate_major
Idebenone Metabolite (Benzenehexanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-)
T2 Tetrol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
3,7,8,15-Scirpenetetrol
Methyl 2-(1,3,5-trihydroxy-4a-methyl-8-oxodecahydro-2-naphthalenyl)acrylate
5-(1,2-DIHYDROXY-2-(PYRIDIN-4-YL)ETHYL)-2,3-DIHYDRO-1H-INDEN-1-ONE O-METHYL OXIME
4-TRIFLUOROMETHYL-TRANS-BETA-STYRYLBORONIC ACID PINACOL ESTER
BENZYL 2-PROPYLPIPERAZINE-1-CARBOXYLATE HYDROCHLORIDE
2-[2-[4-(dimethylamino)phenyl]ethenyl]-5-nitrobenzene-1,4-diamine
E-2-(3-Trifluoromethylphenyl)vinylboronic acid pinacol ester
3-(2-(Pyrrolidin-1-yl)ethylcarbamoyl)phenylboronic acid, HCl
TERT-BUTYL 2-(3-OXOISOINDOLIN-4-YL)-1H-PYRROLE-1-CARBOXYLATE
(4-((2-(PYRROLIDIN-1-YL)ETHYL)CARBAMOYL)PHENYL)BORONIC ACID HYDROCHLORIDE
[4-(6-FORMYLPYRIDIN-2-YL)PHENYL]CARBAMIC ACID TERT-BUTYL ESTER
piprozolin
C78276 - Agent Affecting Digestive System or Metabolism > C66913 - Cholagogues or Choleretic Agents A - Alimentary tract and metabolism > A05 - Bile and liver therapy > A05A - Bile therapy
tert-butyl 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
N-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)ACETAMIDE HYDROCHLORIDE
methyl N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]carbamate
2-[1,4]Diazepan-1-yl-5-propyl-benzenesulfonic acid
N-(4-ethoxyphenyl)-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
3-(Boc-amino)-3-(4-fluorophenyl)-N-hydroxypropanamide
N-cyclopentyl-2-methyl-5-(3-nitrophenyl)pyrimidin-4-amine
N-cyclopentyl-2-methyl-5-(4-nitrophenyl)pyrimidin-4-amine
2-trifluoromethyl-trans-beta-styrylboronic acid pinacol ester
1-(4-Fluorophenyl)-5-methyl-2-phenylhexane-1,4-dione
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-naphthoic acid
C17H19BO4 (298.13763240000003)
Benzenepropanoic acid, b-hydroxy-b-phenyl-, 2-acetylhydrazide
4-ETHYLAMINO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER-HCl
benzyl (2R)-2-propan-2-ylpiperazine-1-carboxylate,hydrochloride
benzyl (2R)-2-propylpiperazine-1-carboxylate,hydrochloride
benzyl (2S)-2-propylpiperazine-1-carboxylate,hydrochloride
Ethyl 8-hydroxy-alpha-(2-propynylamino)-5-quinolinepropanoate
(E)-2-(Hydroxymethyl)-3-[(3aalpha)-3-oxo-5beta-isopropyl-7aalpha-hydroxyoctahydroisobenzofuran-4alpha-yl]acrylic acid
Isopropyl 2-amino-5-[(diethylamino)carbonyl]-4-methylthiophene-3-carboxylate
N-(4-acetylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide
(2S)-5-(dimethylamino)-9-methyl-2-prop-2-enylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione
Piribedil
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents > N04BC - Dopamine agonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist Piribedil is a potent and orally active dopamine D2 and dopamine D3 agonist. Piribedil is also a α2-adrenoceptors antagonist. Piribedil can inhibit MLL1 methyltransferase activity (EC50: 0.18 μM). Piribedil has the potential for the research of parkinson's disease, circulatory disorders, cancers[1][2][3][4].
Neopinone(1+)
The trialkylammonium ion resulting from the protonation of the amino group of neopinone.
N-propanoyl-gamma-L-glutamyl-L-orornithine-delta-lactam
2-imino-10-propyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile
N-[6-(1-oxopentylamino)-3-pyridinyl]-3-pyridinecarboxamide
N-(4-{[2-(1H-pyrrol-2-ylmethylene)hydrazino]carbonyl}phenyl)butanamide
2-{4-[3-(5-Methyl-2-furyl)acryloyl]-1-piperazinyl}pyrimidine
5-Methyl-N-[4-(4-morpholinyl)phenyl]-2-pyrazinecarboxamide
N-[4-methyl-6-(1-oxobutylamino)-3-pyridinyl]-4-pyridinecarboxamide
2-[[2-(4-Methoxyphenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]amino]ethanol
(4bS,6aS,9aS,9bR)-6a-methyl-7-oxo-5,6,6a,7,8,9,9a,9b,10,11-decahydro-4bH-indeno[5,4-f]quinoline-2-carboxylate
N-[2-(3-methoxyanilino)-2-oxoethyl]-4-methylbenzamide
1-Phenyl-3-(2-phenyldiazenylpropan-2-yl)thiourea
C16H18N4S (298.12521080000005)
2-[3-(2-Oxo-1-pyrrolidinyl)propyliminomethyl]indene-1,3-dione
1-(3,4-Dimethoxyphenyl)-3-[(5-methyl-2-pyridinyl)imino]-1-propanone
(6E)-6-(naphthalen-2-ylmethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one
3-Hydroxy-4-(2,6,7-trihydroxy-6-methylheptan-2-yl)benzoic acid
8,9-Diphenyltricyclo(5,2,1,0(2,6))deca-4,8-dien-3-one
oripavine(1+)
The trialkylammonium ion resulting from the protonation of the amino group of oripavine; Major species at pH 7.3.
N-Desmethylolanzapine
C16H18N4S (298.12521080000005)
pyridinestrone-3-carboxylate
A steroid acid anion, that is the conjugate base of pyridinestrone-3-carboxylic acid. An abiotic metabolite in the 4,5-seco pathway of aerobic estrogen degradation by the bacterium Sphingomonas sp. strain KC8.
p-Ts-L-Lys-Me
A methyl ketone that is L-lysine with an alpha-amine hydrogen substituted with a 4-methylbenzenesulfonamide (tosyl) group and a methyl group replacing the hydroxy of the carboxylic acid.
(3s,3as,6r,7s,8r,8ar)-6,8-dihydroxy-3,6,8-trimethyl-tetrahydro-3h-spiro[cyclohepta[b]furan-7,2'-oxolane]-2,5'-dione
5,9,11,13-tetrahydroxy-2,6,10-trimethyl-8-oxatetracyclo[7.3.1.0¹,⁵.0⁶,¹⁰]tridecan-4-one
methyl 2-(n-hydroxyimino)-3-[7-(3-methylbuta-1,3-dien-1-yl)-1h-indol-3-yl]propanoate
(1s,2r,4r,6r,7r,8s,9r,12s)-2,8-dihydroxy-6-(hydroxymethyl)-12-isopropyl-7-methyl-5,10-dioxatetracyclo[7.2.1.0²,⁷.0⁴,⁶]dodecan-11-one
7-hydroperoxy-3,9-dihydroxy-3,10-dimethyl-6-methylidene-3ah,4h,5h,7h,8h,9h,11ah-cyclodeca[b]furan-2-one
4,5,7,9-tetrahydroxy-4a,8-dimethyl-3-methylidene-octahydro-3ah-azuleno[6,5-b]furan-2-one
3,4,6-trihydroxy-6-(4-methyl-5-oxocyclohex-3-en-1-yl)-2-methylideneheptanoic acid
(1r,2r,5r,7s,10s)-10-hydroperoxy-2-isopropyl-5-methyl-11,12-dioxatricyclo[5.3.2.0¹,⁵]dodec-8-ene-8-carboxylic acid
4',6,7-trihydroxy-6',7-dimethyl-1,4,5,6-tetrahydrospiro[2-benzopyran-3,2'-oxan]-8-one
(2r)-2,3-dihydroxy-2-(2-hydroxy-5-methoxy-4-methylphenyl)propyl 2-methylpropanoate
2',5,6-trihydroxy-2',4,4'-trimethyl-3'a,4',5',7'a-tetrahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-en-7'-one
(3r,4's,6r,6's,7r)-4',6,7-trihydroxy-6',7-dimethyl-1,4,5,6-tetrahydrospiro[2-benzopyran-3,2'-oxan]-8-one
2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-ene-3',4',10'-triol
(1's,2'r,4's,7'r,9'r,10'r,11's)-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-ene-4',10',11'-triol
1α-hydroxy-3-deoxypseudoanisatin
{"Ingredient_id": "HBIN002307","Ingredient_name": "1\u03b1-hydroxy-3-deoxypseudoanisatin","Alias": "NA","Ingredient_formula": "C15H22O6","Ingredient_Smile": "CC1C(=O)CC23CC(=O)OCC1(C2(C(CC3(C)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9988","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1α-hydroxy-6-deoxypseudoanisatin
{"Ingredient_id": "HBIN002308","Ingredient_name": "1\u03b1-hydroxy-6-deoxypseudoanisatin","Alias": "NA","Ingredient_formula": "C15H22O6","Ingredient_Smile": "CC1C(=O)CC23CC(=O)OCC1(C2(C(CC3(C)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9989","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-c-methyl-d-erythritol 1-o-β-d-fructofuranoside
{"Ingredient_id": "HBIN005466","Ingredient_name": "2-c-methyl-d-erythritol 1-o-\u03b2-d-fructofuranoside","Alias": "NA","Ingredient_formula": "C11H22O9","Ingredient_Smile": "CC(COC1(C(C(C(O1)CO)O)O)CO)(C(CO)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14413","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-c-methyl-d-erythritol 1-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN005467","Ingredient_name": "2-c-methyl-d-erythritol 1-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C11H22O9","Ingredient_Smile": "CC(COC1(C(C(C(O1)CO)O)O)CO)(C(CO)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14416","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-c-methyl-d-erythritol 3-o-β-d-fructofuranoside
{"Ingredient_id": "HBIN005468","Ingredient_name": "2-c-methyl-d-erythritol 3-o-\u03b2-d-fructofuranoside","Alias": "NA","Ingredient_formula": "C11H22O9","Ingredient_Smile": "CC(CO)(C(CO)OC1(C(C(C(O1)CO)O)O)CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14414","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-c-methyl-d-erythritol 3-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN005469","Ingredient_name": "2-c-methyl-d-erythritol 3-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C11H22O9","Ingredient_Smile": "CC(CO)(C(CO)OC1(C(C(C(O1)CO)O)O)CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14417","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-c-methyl-d-erythritol 4-o-β-d-fructofuranoside
{"Ingredient_id": "HBIN005470","Ingredient_name": "2-c-methyl-d-erythritol 4-o-\u03b2-d-fructofuranoside","Alias": "NA","Ingredient_formula": "C11H22O9","Ingredient_Smile": "CC(CO)(C(COC1(C(C(C(O1)CO)O)O)CO)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14415","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-c-methyl-d-erythritol 4-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN005471","Ingredient_name": "2-c-methyl-d-erythritol 4-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C11H22O9","Ingredient_Smile": "CC(CO)(C(COC1(C(C(C(O1)CO)O)O)CO)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14418","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s)-hydroxy-6-deoxypseudoanisatin
{"Ingredient_id": "HBIN006813","Ingredient_name": "(2s)-hydroxy-6-deoxypseudoanisatin","Alias": "NA","Ingredient_formula": "C15H22O6","Ingredient_Smile": "CC1C(C(C2(C13CC(=O)C(C2(COC(=O)C3)C)C)O)O)O","Ingredient_weight": "298.33 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9990","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101254353","DrugBank_id": "NA"}
amoenin
{"Ingredient_id": "HBIN015879","Ingredient_name": "amoenin","Alias": "NA","Ingredient_formula": "C15H22O6","Ingredient_Smile": "CC(C)C1C2C(C3(C(C1C(=O)O2)(CC4C3(O4)CO)O)C)O","Ingredient_weight": "298.33","OB_score": "NA","CAS_id": "70219-71-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6835","PubChem_id": "101967060","DrugBank_id": "NA"}
(1r,2s,4s,5s,8r,9s,10s)-4,9,10-trihydroxy-2,8,9-trimethyl-6,13-dioxatetracyclo[8.3.1.0¹,⁵.0⁵,⁸]tetradecan-12-one
4-[(2r,3ar,5'r,6ar)-6,6-dimethyl-5-oxo-dihydro-3h-spiro[furo[3,2-b]furan-2,2'-oxolan]-5'-yl]butanoic acid
5-(hept-1-en-1-yl)-6,7-dihydroxy-4-(hydroxymethyl)-3a,6,7,7a-tetrahydro-1,3-benzodioxol-2-one
(1'r,2's,3's,4's,6'r)-1',3',4',6'-tetrahydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-1',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'-one
(3as,6s,7s,7ar)-4-[(1e)-hept-1-en-1-yl]-6,7-dihydroxy-5-(hydroxymethyl)-3a,6,7,7a-tetrahydro-1,3-benzodioxol-2-one
4,9,10-trihydroxy-2,8,9-trimethyl-6,13-dioxatetracyclo[8.3.1.0¹,⁵.0⁵,⁸]tetradecan-12-one
7-[2-(hydroxymethyl)-3-methoxyphenyl]hept-6-ene-2,3,4,5-tetrol
2-(3-hydroxy-2,4,5-trimethylphenoxy)-6-methyloxane-3,4,5-triol
(1s,2r,5r,6s,10r,13r)-5,10,13-trihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.0¹,⁵]tridecane-9,12-dione
(2e,4s,5s)-4,5-dihydroxy-1-(5-oxooxolan-2-yl)hex-2-en-1-yl (2e)-2-methylbut-2-enoate
10-hydroperoxy-2-isopropyl-5-methyl-11,12-dioxatricyclo[5.3.2.0¹,⁵]dodec-8-ene-8-carboxylic acid
(1r,2r,4s,5r,6s,13r)-4,5,13-trihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.0¹,⁵]tridecane-9,12-dione
7,11-dihydroxy-6,6-bis(hydroxymethyl)-2,7-dimethyl-9-oxatricyclo[6.3.1.0¹,⁵]dodec-4-en-10-one
2,7,8-trihydroxy-6,7,13-trimethyl-4,9-dioxatetracyclo[6.5.1.0¹,¹⁰.0⁶,¹⁰]tetradecan-3-one
4,5,13-trihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.0¹,⁵]tridecane-9,12-dione
1',3',4',6'-tetrahydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-1',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'-one
(2s,3s,4r,5r,6e)-7-[2-(hydroxymethyl)-3-methoxyphenyl]hept-6-ene-2,3,4,5-tetrol
4,13-dihydroxy-5,9-dimethyl-11,14,15-trioxatetracyclo[11.2.1.0¹,⁵.0⁸,¹²]hexadecan-10-one
3,7,11-trihydroxy-5-(hydroxymethyl)-11-isopropyl-6-methyl-9-oxatricyclo[6.2.1.0²,⁶]undec-4-en-10-one
(1r,4r,5s,12s,13s)-4,13-dihydroxy-5,9-dimethyl-11,14,15-trioxatetracyclo[11.2.1.0¹,⁵.0⁸,¹²]hexadecan-10-one
2-(4-hydroxy-5-isopropyl-2-methylphenoxy)oxane-3,4,5-triol
(1'r,2's,3's,4's,6's)-1',3',4',6'-tetrahydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-1',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'-one
(3r,3ar,7r,9r,11ar)-7-hydroperoxy-3,9-dihydroxy-3,10-dimethyl-6-methylidene-3ah,4h,5h,7h,8h,9h,11ah-cyclodeca[b]furan-2-one
(1r,6r,7r,8s,10r,11s,13r)-7,8,11-trihydroxy-6,7,13-trimethyl-4,9-dioxatetracyclo[6.5.1.0¹,¹⁰.0⁶,¹⁰]tetradecan-3-one
(2s,3r,4r,5r,6s)-2-(3-hydroxy-2,5,6-trimethylphenoxy)-6-methyloxane-3,4,5-triol
(3ar,6r,7s,7as)-5-[(1e)-hept-1-en-1-yl]-6,7-dihydroxy-4-(hydroxymethyl)-3a,6,7,7a-tetrahydro-1,3-benzodioxol-2-one
(1r,2r,7r,8r,11r)-7,11-dihydroxy-6,6-bis(hydroxymethyl)-2,7-dimethyl-9-oxatricyclo[6.3.1.0¹,⁵]dodec-4-en-10-one
(1r,5s,8s,9r)-8-hydroxy-9-[(1s)-1-hydroxyethyl]-5,9-dimethyl-4,11-dioxatricyclo[6.5.0.0¹,⁵]tridecane-3,12-dione
(1r,2e,4s,5r)-4,5-dihydroxy-1-[(2r)-5-oxooxolan-2-yl]hex-2-en-1-yl (2e)-2-methylbut-2-enoate
4,5,11-trihydroxy-2,6,11-trimethyl-8-oxatricyclo[4.4.3.0¹,⁵]tridecane-9,12-dione
(3as,6r,7s,7ar)-4-[(1e)-hept-1-en-1-yl]-6,7-dihydroxy-5-(hydroxymethyl)-3a,6,7,7a-tetrahydro-1,3-benzodioxol-2-one
2,8-dihydroxy-6-(hydroxymethyl)-12-isopropyl-7-methyl-5,10-dioxatetracyclo[7.2.1.0²,⁷.0⁴,⁶]dodecan-11-one
(2z,4e)-3-methyl-5-[(1r,2r,3r,5s,8s)-2,3,8-trihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]penta-2,4-dienoic acid
4-(hept-1-en-1-yl)-6,7-dihydroxy-5-(hydroxymethyl)-3a,6,7,7a-tetrahydro-1,3-benzodioxol-2-one
[(3as,4r,10as)-10,10-dihydroxy-2,6-diimino-hexahydro-1h-pyrrolo[1,2-c]purin-4-yl]methyl acetate
C11H18N6O4 (298.13894680000004)