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CHEBI:224835 - Aphidicolin A34

ChEBI IDCHEBI:224835
ChEBI NameAphidicolin A34
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O6
Net Charge0
Average Mass392.492
Monoisotopic Mass392.21989
SMILESCC(=O)OC[C@@]1(O)CC[C@]23C[C@H]1C=C2[C@H](O)C[C@@H]1[C@]3(C)CCC(=O)[C@@]1(C)CO
InChIInChI=1S/C22H32O6/c1-13(24)28-12-22(27)7-6-21-10-14(22)8-15(21)16(25)9-17-19(2,11-23)18(26)4-5-20(17,21)3/h8,14,16-17,23,25,27H,4-7,9-12H2,1-3H3/t14-,16-,17+,19+,20+,21+,22+/m1/s1
InChIKeyHKQRATBXYHGJHS-YAZYWOMSSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A34 (CHEBI:224835) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1R,2S,6R,7R,9R,12S,13R)-9,13-dihydroxy-6-(hydroxymethyl)-2,6-dimethyl-5-oxo-13-tetracyclo[10.3.1.01,10.02,7]hexadec-10-enyl]methyl acetate
Manual XrefsDatabases
78966201ChemSpider