CHEBI:214229 - 4-dechlorobotrysphone C

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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 4-dechlorobotrysphone C
ChEBI ID CHEBI:214229
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H12O4
Net Charge 0
Average Mass 172.180
Monoisotopic Mass 172.07356
InChI InChI=1S/C8H12O4/c1-2-12-5-3-6(9)8(11)7(10)4-5/h3,7-8,10-11H,2,4H2,1H3/t7-,8+/m0/s1
InChIKey CUKNSTQHIUIZQI-JGVFFNPUSA-N
SMILES O=C1C=C(OCC)C[C@@H]([C@@H]1O)O
Metabolite of Species Details
Neofusicoccum laricinum (NCBI:txid121618) See: PubMed
ChEBI Ontology
Outgoing 4-dechlorobotrysphone C (CHEBI:214229) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(5S,6S)-3-ethoxy-5,6-dihydroxycyclohex-2-en-1-one