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CHEBI:210550 - 2-Deoxy-11-epi-3a-hydroxysambucoin

ChEBI IDCHEBI:210550
ChEBI Name2-Deoxy-11-epi-3a-hydroxysambucoin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESCC1=C[C@H]2OC[C@]3(O)C[C@H](O)C[C@]3(C)[C@@]2(C)CC1
InChIInChI=1S/C15H24O3/c1-10-4-5-13(2)12(6-10)18-9-15(17)8-11(16)7-14(13,15)3/h6,11-12,16-17H,4-5,7-9H2,1-3H3/t11-,12-,13+,14-,15-/m1/s1
InChIKeyQRDSKOBGOKEIEV-UXXRCYHCSA-N
Species of MetaboliteComponentSourceComments
Fusariumspeciesrotrichioides (ncbitaxon:5514) - DOI (10.1021/np50101a004)
ChEBI Ontology
Outgoing Relation(s)
2-Deoxy-11-epi-3a-hydroxysambucoin (CHEBI:210550) is a oxanes (CHEBI:46942)
IUPAC Name 
(2R,3aS,5aR,9aR,9bR)-7,9a,9b-trimethyl-2,3,4,5a,8,9-hexahydro-1H-cyclopenta[c]chromene-2,3a-diol
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24692088ChemSpider