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CHEBI:213843 - Diaporthein C

ChEBI IDCHEBI:213843
ChEBI NameDiaporthein C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O5
Net Charge0
Average Mass348.439
Monoisotopic Mass348.19367
SMILESC=C[C@]1(C)CC2=C([C@H](O)C1)[C@@]13CCCC(C)(C)[C@]1(O)[C@@](O)(OC3)C2=O
InChIInChI=1S/C20H28O5/c1-5-17(4)9-12-14(13(21)10-17)18-8-6-7-16(2,3)20(18,24)19(23,15(12)22)25-11-18/h5,13,21,23-24H,1,6-11H2,2-4H3/t13-,17-,18+,19+,20-/m1/s1
InChIKeyGRZJAFDJMXOZLZ-DFYPAZAZSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (32199959)
ChEBI Ontology
Outgoing Relation(s)
Diaporthein C (CHEBI:213843) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,3R,5R,9R,10R)-5-ethenyl-3,9,10-trihydroxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-2(7)-en-8-one
Manual XrefsDatabases
97510534ChemSpider