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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3,4-Dehydroxy-3'-deoxycapsanthin
ChEBI ID CHEBI:177054
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H54O
Net Charge 0
Average Mass 550.871
Monoisotopic Mass 550.41747
InChI InChI=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
InChIKey ZFQAIKNKCQDPPB-BKGWKKLQSA-N
SMILES O=C([C@]1(C(CCC1)(C)C)C)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(\C=C\C=C(\C=C\C=2C(CC=CC2C)(C)C)/C)/C
ChEBI Ontology
Outgoing 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
Manual Xref Database
10360679 ChemSpider
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