CHEBI:80154 - 3,4,3',4'-Tetrahydrospirilloxanthin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3,4,3',4'-Tetrahydrospirilloxanthin
ChEBI ID CHEBI:80154
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C42H64O2
Net Charge 0
Average Mass 600.95640
Monoisotopic Mass 600.49063
InChI InChI=1S/C42H64O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-18,21-30H,19-20,31-34H2,1-12H3/b14-13+,23-15+,24-16+,27-17+,28-18+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+
InChIKey LCTIOHZQWXQPIB-VYCPWLLESA-N
SMILES COC(C)(C)CCC\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)CCCC(C)(C)OC
ChEBI Ontology
Outgoing 3,4,3',4'-Tetrahydrospirilloxanthin (CHEBI:80154) is a xanthophyll (CHEBI:27325)
Manual Xrefs Databases
C00022898 KNApSAcK
C15888 KEGG COMPOUND
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