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CHEBI:210634 - Xylaguaianol B

ChEBI IDCHEBI:210634
ChEBI NameXylaguaianol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H28O4
Net Charge0
Average Mass272.385
Monoisotopic Mass272.19876
SMILESC[C@](O)(CO)[C@H]1CC[C@@](C)(O)[C@H]2CC[C@@](C)(O)[C@H]2C1
InChIInChI=1S/C15H28O4/c1-13(17)6-4-10(15(3,19)9-16)8-12-11(13)5-7-14(12,2)18/h10-12,16-19H,4-9H2,1-3H3/t10-,11-,12-,13+,14+,15-/m0/s1
InChIKeyYPCHDQUGYDAPIS-VMCMIOBHSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (26324074)
ChEBI Ontology
Outgoing Relation(s)
Xylaguaianol B (CHEBI:210634) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,3aS,4R,7S,8aS)-7-[(2R)-1,2-dihydroxypropan-2-yl]-1,4-dimethyl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol
Manual XrefsDatabases
78443508ChemSpider