CHEBI:225024 - 10-Oxo-dihydrobotrydial

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 10-Oxo-dihydrobotrydial
ChEBI ID CHEBI:225024
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/c1-9-6-11(22-10(2)18)13-15(3,4)7-16(5)8-21-14(19)12(9)17(13,16)20/h9,11-13,20H,6-8H2,1-5H3/t9-,11+,12-,13+,16-,17-/m1/s1
InChIKey MFOUCDNLAFNKML-SVLWDWOGSA-N
SMILES O=C1OC[C@]2(CC([C@H]3[C@@]2([C@@H]1[C@@H](C[C@@H]3OC(=O)C)C)O)(C)C)C
Metabolite of Species Details
Botrytis cinerea (NCBI:txid40559) See: DOI
ChEBI Ontology
Outgoing 10-Oxo-dihydrobotrydial (CHEBI:225024) is a δ-lactone (CHEBI:18946)
IUPAC Name
[(1R,4R,8S,9R,11S,12S)-12-hydroxy-2,2,4,9-tetramethyl-7-oxo-6-oxatricyclo[6.3.1.04,12]dodecan-11-yl] acetate
Manual Xref Database
24698436 ChemSpider
View more database links