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CHEBI:219725 - Xylaranol B

ChEBI IDCHEBI:219725
ChEBI NameXylaranol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H28O3
Net Charge0
Average Mass256.386
Monoisotopic Mass256.20384
SMILESC[C@@H]1CC[C@H]2[C@@H]1C[C@@H](C(C)(O)CO)CC[C@@]2(C)O
InChIInChI=1S/C15H28O3/c1-10-4-5-13-12(10)8-11(15(3,18)9-16)6-7-14(13,2)17/h10-13,16-18H,4-9H2,1-3H3/t10-,11+,12-,13+,14-,15?/m1/s1
InChIKeyZMKAVJLNYHOIQP-WQFUOLRDSA-N
Species of MetaboliteComponentSourceComments
Xylariaspecies (ncbitaxon:1715255) - DOI (10.1002/hlca.200900296)
ChEBI Ontology
Outgoing Relation(s)
Xylaranol B (CHEBI:219725) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[(3R,3aR,5S,8R,8aS)-8-hydroxy-3,8-dimethyl-2,3,3a,4,5,6,7,8a-octahydro-1H-azulen-5-yl]propane-1,2-diol
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78441379ChemSpider