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CHEBI:224830 - Aphidicolin A33

ChEBI IDCHEBI:224830
ChEBI NameAphidicolin A33
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESC[C@]12CCC(=O)[C@@](C)(CO)[C@@H]1CCC1=C[C@@H]3C[C@@]12CC[C@]3(O)CO
InChIInChI=1S/C20H30O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h9,14-15,21-22,24H,3-8,10-12H2,1-2H3/t14-,15+,17+,18+,19+,20+/m1/s1
InChIKeyPRQDTDUAOQWUMJ-CARQVRACSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A33 (CHEBI:224830) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2S,6R,7R,12S,13R)-13-hydroxy-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-10-en-5-one
Manual XrefsDatabases
78966200ChemSpider