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CHEBI:209789 - Cytosporin W

ChEBI IDCHEBI:209789
ChEBI NameCytosporin W
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O5
Net Charge0
Average Mass336.428
Monoisotopic Mass336.19367
SMILESCCCCCC=CC1=C(CO)[C@H]2OC(C)(C)[C@H](O)C[C@]23O[C@@H]3C1=O
InChIInChI=1S/C19H28O5/c1-4-5-6-7-8-9-12-13(11-20)16-19(17(24-19)15(12)22)10-14(21)18(2,3)23-16/h8-9,14,16-17,20-21H,4-7,10-11H2,1-3H3/t14-,16-,17-,19+/m1/s1
InChIKeyFQRNDUSBHJTZPN-MYZZLAAOSA-N
Species of MetaboliteComponentSourceComments
Pseudopestalotiopsis theae (ncbitaxon:218556) - PubMed (32102178)
ChEBI Ontology
Outgoing Relation(s)
Cytosporin W (CHEBI:209789) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1aS,4aR,7R,8aS)-3-hept-1-enyl-7-hydroxy-4-(hydroxymethyl)-6,6-dimethyl-1a,4a,7,8-tetrahydrooxireno[2,3-e]chromen-2-one