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CHEBI:3378 - capsorubin

ChEBI IDCHEBI:3378
ChEBI Namecapsorubin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC40H56O4
Net Charge0
Average Mass600.884
Monoisotopic Mass600.41786
SMILESCC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)C[C@@H](O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C
InChIInChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,39-,40-/m0/s1
InChIKeyGVOIABOMXKDDGU-YUURSNASSA-N
ChEBI Ontology
Outgoing Relation(s)
capsorubin (CHEBI:3378) is a carotenone (CHEBI:35310)
IUPAC Name 
(3S,3'S,5R,5'R)-3,3'-dihydroxy-κ,κ-carotene-6,6'-dione
Synonyms  Source
CapsorubinKEGG COMPOUND
(3S,5R,3'S,5'R)-3,3'-dihydroxy-κ,κ-carotene-6,6'-dioneIUBMB
UniProt Name  Source
all-trans-capsorubinUniProt
Manual XrefsDatabases
C08585KEGG COMPOUND
LMPR01070048LIPID MAPS
C00003764KNApSAcK
Registry NumbersSources
Beilstein:2494276Beilstein
CAS:470-38-2KEGG COMPOUND
CAS:470-38-2ChemIDplus