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CHEBI:224708 - Aphidicolin A11

ChEBI IDCHEBI:224708
ChEBI NameAphidicolin A11
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILESC[C@@]1(C=O)[C@H](O)CC[C@@]2(C)[C@H]1C(=O)C[C@H]1C[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/h10,12-13,15-16,22,24-25H,3-9,11H2,1-2H3/t12-,13-,15-,16+,17-,18+,19+,20+/m1/s1
InChIKeyCMHJPHNAYVYXQM-FRRBHXSNSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A11 (CHEBI:224708) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2S,5R,6S,7R,10R,12R,13R)-5,13-dihydroxy-13-(hydroxymethyl)-2,6-dimethyl-8-oxotetracyclo[10.3.1.01,10.02,7]hexadecane-6-carbaldehyde
Manual XrefsDatabases
78966178ChemSpider