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CHEBI:202236 - Ketodeoxymyxol glucoside

ChEBI IDCHEBI:202236
ChEBI NameKetodeoxymyxol glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H64O8
Net Charge0
Average Mass745.010
Monoisotopic Mass744.46012
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@H](O)C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1=O
InChIInChI=1S/C46H64O8/c1-31(16-11-12-17-32(2)19-14-22-34(4)24-26-37-36(6)38(48)28-29-45(37,7)8)18-13-20-33(3)21-15-23-35(5)25-27-40(49)46(9,10)54-44-43(52)42(51)41(50)39(30-47)53-44/h11-27,39-44,47,49-52H,28-30H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,26-24+,27-25+,31-16+,32-17+,33-20+,34-22+,35-23+/t39-,40+,41-,42+,43-,44+/m1/s1
InChIKeyWIIAAEMYMGPGLU-PKCXJYPGSA-N
Species of MetaboliteComponentSourceComments
Gordonia terrae (ncbitaxon:2055) - PubMed (18838810)
ChEBI Ontology
Outgoing Relation(s)
Ketodeoxymyxol glucoside (CHEBI:202236) is a xanthophyll (CHEBI:27325)
IUPAC Name 
3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23S)-23-hydroxy-3,7,12,16,20,24-hexamethyl-24-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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
9290451ChemSpider