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CHEBI:193170 - Heliannuol B

ChEBI IDCHEBI:193170
ChEBI NameHeliannuol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILES[H][C@@]1(C(C)(C)O)C=C[C@H](C)c2cc(O)c(C)cc2O1
InChIInChI=1S/C15H20O3/c1-9-5-6-14(15(3,4)17)18-13-7-10(2)12(16)8-11(9)13/h5-9,14,16-17H,1-4H3/t9-,14-/m0/s1
InChIKeyWYQLDPBFXNVPJE-XPTSAGLGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
Heliannuol B (CHEBI:193170) is a oxacycle (CHEBI:38104)
IUPAC Name 
(2S,5S)-2-(2-hydroxypropan-2-yl)-5,8-dimethyl-2,5-dihydro-1-benzoxepin-7-ol
Manual XrefsDatabases
8530101ChemSpider