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CHEBI:225035 - Aphidicolin A71

ChEBI IDCHEBI:225035
ChEBI NameAphidicolin A71
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O4
Net Charge0
Average Mass320.429
Monoisotopic Mass320.19876
SMILESC[C@]12CC(=O)C=C(CO)[C@@H]1CC[C@H]1C[C@@H]3C[C@@]12CC[C@]3(O)CO
InChIInChI=1S/C19H28O4/c1-17-9-15(22)6-12(10-20)16(17)3-2-13-7-14-8-18(13,17)4-5-19(14,23)11-21/h6,13-14,16,20-21,23H,2-5,7-11H2,1H3/t13-,14+,16-,17-,18-,19-/m0/s1
InChIKeyMTQXSVCSGJOCJW-KLACQSGDSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A71 (CHEBI:225035) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,2S,7R,10S,12R,13R)-13-hydroxy-6,13-bis(hydroxymethyl)-2-methyltetracyclo[10.3.1.01,10.02,7]hexadec-5-en-4-one
Manual XrefsDatabases
78966238ChemSpider