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CHEBI:200063 - Kalkipyrone A

Default Structure
ChEBI IDCHEBI:200063
ChEBI NameKalkipyrone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESCOc1oc(C/C=C(\C)C/C=C/C(C)=C/[C@@H](C)O)c(C)c(=O)c1C
InChIInChI=1S/C20H28O4/c1-13(8-7-9-14(2)12-15(3)21)10-11-18-16(4)19(22)17(5)20(23-6)24-18/h7,9-10,12,15,21H,8,11H2,1-6H3/b9-7+,13-10+,14-12+/t15-/m1/s1
InChIKeyZMSSBNLNFAIVPK-MTGFRBBYSA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (9599278)
ChEBI Ontology
Outgoing Relation(s)
Kalkipyrone A (CHEBI:200063) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
2-[(2E,5E,7E,9R)-9-hydroxy-3,7-dimethyldeca-2,5,7-trienyl]-6-methoxy-3,5-dimethylpyran-4-one
Manual XrefsDatabases
8768073ChemSpider