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CHEBI:225005 - Aphidicolin A66

ChEBI IDCHEBI:225005
ChEBI NameAphidicolin A66
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O4
Net Charge0
Average Mass320.429
Monoisotopic Mass320.19876
SMILESC[C@@H]1C(=O)CC[C@@]2(C)[C@H]1CC=C1[C@H](O)[C@@H]3C[C@@]12CC[C@]3(O)CO
InChIInChI=1S/C19H28O4/c1-11-12-3-4-13-16(22)14-9-18(13,7-8-19(14,23)10-20)17(12,2)6-5-15(11)21/h4,11-12,14,16,20,22-23H,3,5-10H2,1-2H3/t11-,12-,14-,16-,17-,18-,19-/m0/s1
InChIKeyLNZYJSLTBFBUBA-OQCIHVHGSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A66 (CHEBI:225005) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,2S,6S,7S,11R,12S,13R)-11,13-dihydroxy-13-(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-9-en-5-one
Manual XrefsDatabases
78966233ChemSpider