CHEBI:216296 - 8,9-epibotrydial

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 8,9-epibotrydial
ChEBI ID CHEBI:216296
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H26O5
Net Charge 0
Average Mass 310.390
Monoisotopic Mass 310.17802
InChI InChI=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
InChIKey SJFIYVCSGNWVPJ-PQVRDHEWSA-N
SMILES O=C(O[C@@H]1[C@@H]2[C@](O)([C@@](C=O)(C)CC2(C)C)[C@@H](C=O)[C@@H](C1)C)C
Metabolite of Species Details
Botrytis cinerea (NCBI:txid40559) See: DOI
ChEBI Ontology
Outgoing 8,9-epibotrydial (CHEBI:216296) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name
[(1R,3aR,4S,6R,7S,7aR)-1,7-diormyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl] acetate
Manual Xref Database
8646059 ChemSpider
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