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CHEBI:227916 - 3-dihydrovirone

ChEBI IDCHEBI:227916
ChEBI Name3-dihydrovirone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O4
Net Charge0
Average Mass354.446
Monoisotopic Mass354.18311
SMILESCC(=O)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)c2coc(c21)C3=O
InChIInChI=1S/C22H26O4/c1-11(23)13-4-5-14-17-15(6-8-21(13,14)2)22(3)9-7-16(24)12-10-26-20(18(12)22)19(17)25/h10,13-14,16,24H,4-9H2,1-3H3/t13-,14+,16+,21-,22-/m1/s1
InChIKeyXHTMEDJDQDFMJW-QNLBZNQMSA-N
Species of MetaboliteComponentSourceComments
Hymenoscyphus fraxineus (ncbitaxon:746836) - PubMed (23098903)
ChEBI Ontology
Outgoing Relation(s)
3-dihydrovirone (CHEBI:227916) is a steroid (CHEBI:35341)
IUPAC Name 
(1R,5S,6S,9R,16S)-6-acetyl-16-hydroxy-1,5-dimethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-trien-11-one
Manual XrefsDatabases
78442103ChemSpider