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CHEBI:200589 - 1,2-Dehydrolactarolide A

ChEBI IDCHEBI:200589
ChEBI Name1,2-Dehydrolactarolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O5
Net Charge0
Average Mass280.320
Monoisotopic Mass280.13107
SMILESCC1(C)C=C2[C@@H](C1)[C@H](O)C1=C(C[C@]2(C)O)C(=O)OC1O
InChIInChI=1S/C15H20O5/c1-14(2)4-7-9(6-14)15(3,19)5-8-10(11(7)16)13(18)20-12(8)17/h6-7,11,13,16,18-19H,4-5H2,1-3H3/t7-,11+,13?,15+/m1/s1
InChIKeyDMFMLSDQIFVNOX-UVZIMPLHSA-N
Species of MetaboliteComponentSourceComments
Lactarius vellereus (ncbitaxon:152950) - PubMed (16960362)
ChEBI Ontology
Outgoing Relation(s)
1,2-Dehydrolactarolide A (CHEBI:200589) is a butenolide (CHEBI:50523)
IUPAC Name 
(5S,8aR,9S)-1,5,9-trihydroxy-5,7,7-trimethyl-4,8,8a,9-tetrahydro-1H-azuleno[5,6-c]uran-3-one
Manual XrefsDatabases
28283699ChemSpider