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CHEBI:211133 - Graphostromabisabol A

Default Structure
ChEBI IDCHEBI:211133
ChEBI NameGraphostromabisabol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H28O4
Net Charge0
Average Mass272.385
Monoisotopic Mass272.19876
SMILESCC1=CC[C@@H]([C@@](C)(O)CC[C@@H](O)C(C)(C)O)C[C@@H]1O
InChIInChI=1S/C15H28O4/c1-10-5-6-11(9-12(10)16)15(4,19)8-7-13(17)14(2,3)18/h5,11-13,16-19H,6-9H2,1-4H3/t11-,12+,13-,15+/m1/s1
InChIKeySAAGGFOSIFQQMO-COMQUAJESA-N
Species of MetaboliteComponentSourceComments
Graphostroma (ncbitaxon:190933) - DOI (10.1016/j.tet.2017.11.013)
ChEBI Ontology
Outgoing Relation(s)
Graphostromabisabol A (CHEBI:211133) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3R,6S)-6-[(1R,5S)-5-hydroxy-4-methylcyclohex-3-en-1-yl]-2-methylheptane-2,3,6-triol
Manual XrefsDatabases
63002565ChemSpider