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CHEBI:220812 - 1'-beta-xylosyl-3,2'-dihydroxy-beta,psi-caroten-4-one

ChEBI IDCHEBI:220812
ChEBI Name1'-beta-xylosyl-3,2'-dihydroxy-beta,psi-caroten-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H62O8
Net Charge0
Average Mass730.983
Monoisotopic Mass730.44447
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=C(C)/C=C/C(O)C(C)(C)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CC(O)C1=O
InChIInChI=1S/C45H62O8/c1-30(16-11-12-17-31(2)19-14-22-33(4)24-26-36-35(6)40(49)37(46)28-44(36,7)8)18-13-20-32(3)21-15-23-34(5)25-27-39(48)45(9,10)53-43-42(51)41(50)38(47)29-52-43/h11-27,37-39,41-43,46-48,50-51H,28-29H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,26-24+,27-25+,30-16+,31-17+,32-20+,33-22+,34-23+/t37?,38-,39?,41+,42-,43+/m1/s1
InChIKeyXRPACSITYAFJKI-ZUTDVTDYSA-N
Species of MetaboliteComponentSourceComments
Hymenobacterspecies (ncbitaxon:1898978) - DOI (10.1016/j.tetlet.2009.03.117)
ChEBI Ontology
Outgoing Relation(s)
1'-beta-xylosyl-3,2'-dihydroxy-beta,psi-caroten-4-one (CHEBI:220812) is a xanthophyll (CHEBI:27325)
IUPAC Name 
6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-23-hydroxy-3,7,12,16,20,24-hexamethyl-24-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
Manual XrefsDatabases
78440409ChemSpider