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CHEBI:225011 - Aphidicolin A67

ChEBI IDCHEBI:225011
ChEBI NameAphidicolin A67
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O4
Net Charge0
Average Mass318.413
Monoisotopic Mass318.18311
SMILESCC1=C2C(=O)C[C@H]3C[C@@H]4C[C@]3(CC[C@]4(O)CO)[C@@]2(C)CCC1=O
InChIInChI=1S/C19H26O4/c1-11-14(21)3-4-17(2)16(11)15(22)8-12-7-13-9-18(12,17)5-6-19(13,23)10-20/h12-13,20,23H,3-10H2,1-2H3/t12-,13-,17+,18+,19+/m1/s1
InChIKeyKEIKTRADEAFSDO-CZMXQBROSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A67 (CHEBI:225011) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,2R,10R,12R,13R)-13-hydroxy-13-(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-6-ene-5,8-dione
Manual XrefsDatabases
78966234ChemSpider