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CHEBI:211138 - Graphostromabisabol B

Default Structure
ChEBI IDCHEBI:211138
ChEBI NameGraphostromabisabol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O3
Net Charge0
Average Mass210.273
Monoisotopic Mass210.12559
SMILESCC1=CC/C(=C(/C)CCC(=O)O)C[C@@H]1O
InChIInChI=1S/C12H18O3/c1-8(4-6-12(14)15)10-5-3-9(2)11(13)7-10/h3,11,13H,4-7H2,1-2H3,(H,14,15)/b10-8+/t11-/m0/s1
InChIKeyXCXSPPWWZZBZIG-UQSGXBNBSA-N
Species of MetaboliteComponentSourceComments
Graphostroma (ncbitaxon:190933) - DOI (10.1016/j.tet.2017.11.013)
ChEBI Ontology
Outgoing Relation(s)
Graphostromabisabol B (CHEBI:211138) is a p-menthane monoterpenoid (CHEBI:25186)
IUPAC Name 
(4E)-4-[(5S)-5-hydroxy-4-methylcyclohex-3-en-1-ylidene]pentanoic acid
Manual XrefsDatabases
63002566ChemSpider