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CHEBI:199970 - 1-epibotrydial

ChEBI IDCHEBI:199970
ChEBI Name1-epibotrydial
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O5
Net Charge0
Average Mass310.390
Monoisotopic Mass310.17802
SMILESCC(=O)O[C@H]1C[C@@H](C)[C@@H](C=O)[C@@]2(O)[C@@H]1C(C)(C)C[C@]2(C)C=O
InChIInChI=1S/C17H26O5/c1-10-6-13(22-11(2)20)14-15(3,4)8-16(5,9-19)17(14,21)12(10)7-18/h7,9-10,12-14,21H,6,8H2,1-5H3/t10-,12-,13+,14+,16-,17-/m1/s1
InChIKeySJFIYVCSGNWVPJ-SDLFRHKASA-N
Species of MetaboliteComponentSourceComments
Botrytis cinerea (ncbitaxon:40559) - DOI (10.1016/s0040-4020(99)00032-0)
ChEBI Ontology
Outgoing Relation(s)
1-epibotrydial (CHEBI:199970) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
[(1S,3aR,4S,6R,7R,7aS)-1,7-diormyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl] acetate
Manual XrefsDatabases
8511024ChemSpider