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CHEBI:177054 - 3,4-Dehydroxy-3'-deoxycapsanthin

ChEBI IDCHEBI:177054
ChEBI Name3,4-Dehydroxy-3'-deoxycapsanthin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H54O
Net Charge0
Average Mass550.871
Monoisotopic Mass550.41747
SMILESCC1=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)[C@]2(C)CCCC2(C)C)C(C)(C)CC=C1
InChIInChI=1S/C40H54O/c1-31(19-13-21-33(3)24-26-36-35(5)23-15-28-38(36,6)7)17-11-12-18-32(2)20-14-22-34(4)25-27-37(41)40(10)30-16-29-39(40,8)9/h11-15,17-27H,16,28-30H2,1-10H3/b12-11+,19-13+,20-14+,26-24+,27-25+,31-17+,32-18+,33-21+,34-22+/t40-/m0/s1
InChIKeyZFQAIKNKCQDPPB-BKGWKKLQSA-N
ChEBI Ontology
Outgoing Relation(s)
3,4-Dehydroxy-3'-deoxycapsanthin (CHEBI:177054) is a xanthophyll (CHEBI:27325)
IUPAC Name 
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethyl-19-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)-1-[(1R)-1,2,2-trimethylcyclopentyl]nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
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