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CHEBI:224813 - Aphidicolin A30

ChEBI IDCHEBI:224813
ChEBI NameAphidicolin A30
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O5
Net Charge0
Average Mass352.471
Monoisotopic Mass352.22497
SMILESC[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1C[C@@H](O)C1=C[C@@H]3C[C@@]12CC[C@]3(O)CO
InChIInChI=1S/C20H32O5/c1-17(10-21)15-8-14(23)13-7-12-9-19(13,5-6-20(12,25)11-22)18(15,2)4-3-16(17)24/h7,12,14-16,21-25H,3-6,8-11H2,1-2H3/t12-,14-,15+,16-,17+,18+,19+,20+/m1/s1
InChIKeyBAOAFTJGHZETGJ-QHCAZSHUSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A30 (CHEBI:224813) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,2S,5R,6R,7R,9R,12S,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-10-ene-5,9,13-triol
Manual XrefsDatabases
78966197ChemSpider