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CHEBI:204250 - Haliangicin

ChEBI IDCHEBI:204250
ChEBI NameHaliangicin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O5
Net Charge0
Average Mass376.493
Monoisotopic Mass376.22497
SMILESC=CC1OC1(C)CC(C)/C(C)=C/C=C(C)\C=C(OC)\C(=C/C(=O)OC)OC
InChIInChI=1S/C22H32O5/c1-9-20-22(5,27-20)14-17(4)16(3)11-10-15(2)12-18(24-6)19(25-7)13-21(23)26-8/h9-13,17,20H,1,14H2,2-8H3/b15-10-,16-11+,18-12-,19-13+
InChIKeyXIKGETOZQXNXHV-CPFPKWEUSA-N
Species of MetaboliteComponentSourceComments
Haliangium (ncbitaxon:162027) - PubMed (11302487)
ChEBI Ontology
Outgoing Relation(s)
Haliangicin (CHEBI:204250) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
methyl (2E,4Z,6Z,8E)-11-(3-ethenyl-2-methyloxiran-2-yl)-3,4-dimethoxy-6,9,10-trimethylundeca-2,4,6,8-tetraenoate
Manual XrefsDatabases
8266487ChemSpider