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CHEBI:225039 - Aphidicolin A7

ChEBI IDCHEBI:225039
ChEBI NameAphidicolin A7
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H36O5
Net Charge0
Average Mass392.536
Monoisotopic Mass392.25627
SMILESCC1(C)OC[C@]2(CC[C@]34C[C@H]2C[C@@H]3CC[C@H]2[C@](C)(C(=O)O)[C@H](O)CC[C@@]24C)O1
InChIInChI=1S/C23H36O5/c1-19(2)27-13-23(28-19)10-9-22-12-15(23)11-14(22)5-6-16-20(22,3)8-7-17(24)21(16,4)18(25)26/h14-17,24H,5-13H2,1-4H3,(H,25,26)/t14-,15+,16+,17+,20-,21-,22-,23-/m0/s1
InChIKeyYTGZFJAGNWIUMT-ZVIFMPMTSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A7 (CHEBI:225039) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1'S,2'S,4R,5'R,6'S,7'R,10'S,12'R)-5'-hydroxy-2,2,2',6'-tetramethylspiro[1,3-dioxolane-4,13'-tetracyclo[10.3.1.01,10.02,7]hexadecane]-6'-carboxylic acid
Manual XrefsDatabases
78966174ChemSpider