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CHEBI:224406 - Akotriol

ChEBI IDCHEBI:224406
ChEBI NameAkotriol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O3
Net Charge0
Average Mass254.370
Monoisotopic Mass254.18819
SMILESCC1(C)C[C@]2(CO)C[C@H]3[C@H]1[C@@H]2CCC[C@]3(O)CO
InChIInChI=1S/C15H26O3/c1-13(2)7-14(8-16)6-11-12(13)10(14)4-3-5-15(11,18)9-17/h10-12,16-18H,3-9H2,1-2H3/t10-,11-,12+,14-,15-/m0/s1
InChIKeyVGJWMAWBVUWZGM-QIRZIZBZSA-N
Species of MetaboliteComponentSourceComments
Xylaria cubensis (ncbitaxon:114814) - DOI (10.1002/hlca.201400091)
ChEBI Ontology
Outgoing Relation(s)
Akotriol (CHEBI:224406) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(1R,2S,6R,7S,9R)-6,9-bis(hydroxymethyl)-11,11-dimethyltricyclo[5.4.0.02,9]undecan-6-ol
Manual XrefsDatabases
78441222ChemSpider