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CHEBI:230551 - 4beta-hydroxyobovatachromene

Default Structure
ChEBI IDCHEBI:230551
ChEBI Name4beta-hydroxyobovatachromene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O6
Net Charge0
Average Mass370.401
Monoisotopic Mass370.14164
SMILESCOc1cc2c(c3c1[C@H](O)[C@H](O)[C@@H](c1ccc(O)cc1)O3)C=CC(C)(C)O2
InChIInChI=1S/C21H22O6/c1-21(2)9-8-13-14(27-21)10-15(25-3)16-17(23)18(24)19(26-20(13)16)11-4-6-12(22)7-5-11/h4-10,17-19,22-24H,1-3H3/t17-,18-,19+/m0/s1
InChIKeyGUGLXICOVCCFRU-GBESFXJTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
4beta-hydroxyobovatachromene (CHEBI:230551) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(2R,3S,4S)-2-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-h]chromene-3,4-diol
Manual XrefsDatabases
24842626ChemSpider
LMPK12020213LIPID MAPS