CHEBI:220761 - Cis-haliangicin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Cis-haliangicin
ChEBI ID CHEBI:220761
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H32O5
Net Charge 0
Average Mass 376.493
Monoisotopic Mass 376.22497
InChI InChI=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+/t17-,20-,22+/m1/s1
InChIKey XIKGETOZQXNXHV-SHBHEWNNSA-N
SMILES O=C(OC)/C=C(/OC)\C(\OC)=C\C(=C/C=C(/[C@@H](C[C@@]1(O[C@@H]1C=C)C)C)\C)\C
Metabolite of Species Details
Haliangium (NCBI:txid162027) See: PubMed
ChEBI Ontology
Outgoing Cis-haliangicin (CHEBI:220761) is a monoterpenoid (CHEBI:25409)
IUPAC Name
methyl (2E,4Z,6Z,8E,10R)-11-[(2S,3R)-3-ethenyl-2-methyloxiran-2-yl]-3,4-dimethoxy-6,9,10-trimethylundeca-2,4,6,8-tetraenoate
Manual Xref Database
78442869 ChemSpider
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