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CHEBI:215339 - Donacinoic acid B

ChEBI IDCHEBI:215339
ChEBI NameDonacinoic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESC=C1C(O)CC2CC1[C@]2(C)C[C@H](O)/C=C(\C)C(=O)O
InChIInChI=1S/C15H22O4/c1-8(14(18)19)4-11(16)7-15(3)10-5-12(15)9(2)13(17)6-10/h4,10-13,16-17H,2,5-7H2,1,3H3,(H,18,19)/b8-4+/t10?,11-,12?,13?,15-/m1/s1
InChIKeyTZBDOZMYJQQLLN-SOGXXSOYSA-N
Species of MetaboliteComponentSourceComments
Montagnula donacina (ncbitaxon:1543151) - PubMed (29287257)
ChEBI Ontology
Outgoing Relation(s)
Donacinoic acid B (CHEBI:215339) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(E,4S)-4-hydroxy-5-[(6R)-3-hydroxy-6-methyl-2-methylidene-6-bicyclo[3.1.1]heptanyl]-2-methylpent-2-enoic acid
Manual XrefsDatabases
78445647ChemSpider