CHEBI:198207 - Hygrophorone C12

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 Hygrophorone C12
ChEBI ID CHEBI:198207
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H30O4
Net Charge 0
Average Mass 310.434
Monoisotopic Mass 310.21441
InChI InChI=1S/C18H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-15(19)18(22)16(20)13-14-17(18)21/h13-14,16,20,22H,2-12H2,1H3/t16-,18-/m1/s1
InChIKey TYFBKCNLJSYFSS-SJLPKXTDSA-N
SMILES O=C1C=C[C@H]([C@]1(O)C(=O)CCCCCCCCCCCC)O
Metabolite of Species Details
Hygrophorus persoonii (NCBI:txid1032769) See: PubMed
ChEBI Ontology
Outgoing Hygrophorone C12 (CHEBI:198207) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name
(4R,5S)-4,5-dihydroxy-5-tridecanoylcyclopent-2-en-1-one
Manual Xref Database
78436331 ChemSpider
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