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CHEBI:210571 - Dahliane I

ChEBI IDCHEBI:210571
ChEBI NameDahliane I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESCC(C)[C@H]1[C@@H](O)[C@@H](O)[C@@H]2[C@H]3OCC4=C3[C@@](C)(CCC4=O)CC[C@@]21C
InChIInChI=1S/C20H30O4/c1-10(2)13-16(22)17(23)15-18-14-11(9-24-18)12(21)5-6-19(14,3)7-8-20(13,15)4/h10,13,15-18,22-23H,5-9H2,1-4H3/t13-,15+,16+,17-,18-,19-,20+/m0/s1
InChIKeyGKUCSSBQVHTTCY-OVGJJSINSA-N
Species of MetaboliteComponentSourceComments
Verticillium dahliae (ncbitaxon:27337) - PubMed (30659876)
ChEBI Ontology
Outgoing Relation(s)
Dahliane I (CHEBI:210571) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,2R,3S,4R,5R,6R,9R)-3,4-dihydroxy-6,9-dimethyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-13(16)-en-12-one