CHEBI:81189 - Coixenolide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Coixenolide
ChEBI ID CHEBI:81189
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C38H70O4
Net Charge 0
Average Mass 590.96000
Monoisotopic Mass 590.52741
InChI InChI=1S/C38H70O4/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-38(40)42-36(4)35(3)41-37(39)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2/h15-18,35-36H,5-14,19-34H2,1-4H3/b17-15+,18-16-/t35-,36+/m1/s1
InChIKey DPQCZNIGGNJGTD-MVCBGFDASA-N
SMILES CCCCCC\C=C\CCCCCCCCCC(=O)O[C@@H](C)[C@@H](C)OC(=O)CCCCCCC\C=C/CCCCCC
ChEBI Ontology
Outgoing Coixenolide (CHEBI:81189) is a fatty acid ester (CHEBI:35748)
Manual Xref Database
C17566 KEGG COMPOUND
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