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CHEBI:215333 - Donacinoic acid A

ChEBI IDCHEBI:215333
ChEBI NameDonacinoic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O4
Net Charge0
Average Mass264.321
Monoisotopic Mass264.13616
SMILESC/C(=C\[C@@H]1C[C@@]23[C@H]4CC[C@@](C)(O[C@@H]2O1)[C@@H]3C4)C(=O)O
InChIInChI=1S/C15H20O4/c1-8(12(16)17)5-10-7-15-9-3-4-14(2,11(15)6-9)19-13(15)18-10/h5,9-11,13H,3-4,6-7H2,1-2H3,(H,16,17)/b8-5+/t9-,10+,11-,13-,14+,15-/m0/s1
InChIKeySIDAVWFGTAYCMJ-CTTKWSSYSA-N
Species of MetaboliteComponentSourceComments
Montagnula donacina (ncbitaxon:1543151) - PubMed (29287257)
ChEBI Ontology
Outgoing Relation(s)
Donacinoic acid A (CHEBI:215333) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(E)-2-methyl-3-[(1R,2S,4S,6S,8R,11S)-8-methyl-5,7-dioxatetracyclo[6.4.0.02,6.02,11]dodecan-4-yl]prop-2-enoic acid
Manual XrefsDatabases
78442381ChemSpider