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CHEBI:221699 - Demethylgranulone

ChEBI IDCHEBI:221699
ChEBI NameDemethylgranulone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O3
Net Charge0
Average Mass236.311
Monoisotopic Mass236.14124
SMILESC[C@@H]1[C@@H](O)C2=C(C(=O)[C@@H](C)C2)[C@@]2(C)CC[C@@]12O
InChIInChI=1S/C14H20O3/c1-7-6-9-10(11(7)15)13(3)4-5-14(13,17)8(2)12(9)16/h7-8,12,16-17H,4-6H2,1-3H3/t7-,8+,12+,13+,14+/m0/s1
InChIKeyYEHALDXEWXZEQB-YOLTXAATSA-N
Species of MetaboliteComponentSourceComments
Granulobasidium vellereum (ncbitaxon:293805) - PubMed (24703932)
ChEBI Ontology
Outgoing Relation(s)
Demethylgranulone (CHEBI:221699) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(2aR,3R,4R,6S,7bR)-2a,4-dihydroxy-3,6,7b-trimethyl-1,2,3,4,5,6-hexahydrocyclobuta[g]inden-7-one
Manual XrefsDatabases
78442055ChemSpider