CHEBI:80415 - R.g.-Keto III

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name R.g.-Keto III
ChEBI ID CHEBI:80415
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C42H60O4
Net Charge 0
Average Mass 628.92340
Monoisotopic Mass 628.449
InChI InChI=1S/C42H60O4/c1-33(21-15-23-35(3)25-17-27-37(5)39(43)29-31-41(7,8)45-11)19-13-14-20-34(2)22-16-24-36(4)26-18-28-38(6)40(44)30-32-42(9,10)46-12/h13-28H,29-32H2,1-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+
InChIKey YYCQFETXOGJFMD-IDPZBRFSSA-N
SMILES COC(C)(C)CCC(=O)C(\C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)C(=O)CCC(C)(C)OC
ChEBI Ontology
Outgoing R.g.-Keto III (CHEBI:80415) is a xanthophyll (CHEBI:27325)
Manual Xrefs Databases
C00023065 KNApSAcK
C16278 KEGG COMPOUND
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