CHEBI:218418 - Botrytinone

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 Botrytinone
ChEBI ID CHEBI:218418
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H10O4
Net Charge 0
Average Mass 158.153
Monoisotopic Mass 158.05791
InChI InChI=1S/C7H10O4/c1-3(8)4-2-5(9)7(11)6(4)10/h2-3,6-8,10-11H,1H3/t3-,6-,7-/m1/s1
InChIKey JYDDAHDSJLLHSV-YLGFNEOPSA-N
SMILES O=C1C=C([C@H](O)C)[C@H]([C@@H]1O)O
Metabolite of Species Details
Botrytisspecies (NCBI:txid1849799) See: PubMed
ChEBI Ontology
Outgoing Botrytinone (CHEBI:218418) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(4R,5S)-4,5-dihydroxy-3-[(1R)-1-hydroxyethyl]cyclopent-2-en-1-one
Manual Xref Database
17214471 ChemSpider
View more database links