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CHEBI:224727 - Aphidicolin A15

ChEBI IDCHEBI:224727
ChEBI NameAphidicolin A15
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O6
Net Charge0
Average Mass366.454
Monoisotopic Mass366.20424
SMILESC[C@@]1(C(=O)O)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@@]12CC[C@]3(O)C(=O)O
InChIInChI=1S/C20H30O6/c1-17-6-5-14(21)18(2,15(22)23)13(17)4-3-11-9-12-10-19(11,17)7-8-20(12,26)16(24)25/h11-14,21,26H,3-10H2,1-2H3,(H,22,23)(H,24,25)/t11-,12+,13+,14+,17-,18-,19-,20+/m0/s1
InChIKeyLYFNKMIDRMKGMD-QWOOYODBSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A15 (CHEBI:224727) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2S,5R,6S,7R,10S,12R,13R)-5,13-dihydroxy-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-6,13-dicarboxylic acid
Manual XrefsDatabases
78966182ChemSpider