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CHEBI:224937 - Aphidicolin A53

ChEBI IDCHEBI:224937
ChEBI NameAphidicolin A53
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILESC[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1C(=O)C=C1C[C@@H]3C[C@@]12CC[C@]3(O)CO
InChIInChI=1S/C20H30O5/c1-17(10-21)15(24)3-4-18(2)16(17)14(23)8-12-7-13-9-19(12,18)5-6-20(13,25)11-22/h8,13,15-16,21-22,24-25H,3-7,9-11H2,1-2H3/t13-,15-,16+,17-,18+,19+,20+/m1/s1
InChIKeyZEEVIJMUZUXRSM-YMDNOQLFSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A53 (CHEBI:224937) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2S,5R,6R,7R,12R,13R)-5,13-dihydroxy-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-9-en-8-one
Manual XrefsDatabases
78966220ChemSpider