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CHEBI:200865 - 1'-(6"-0-(I I " '-methyllauryl) -P-glucopyranosyloxy]-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-I -hydroxy-yl, yl-carotene

ChEBI IDCHEBI:200865
ChEBI Name1'-(6"-0-(I I " '-methyllauryl) -P-glucopyranosyloxy]-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-I -hydroxy-yl, yl-carotene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H90O8
Net Charge0
Average Mass927.361
Monoisotopic Mass926.66357
SMILESCC(/C=C/C=C(C)/C=C/C=C(C)/C=C/CC(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\CC(C)(C)O[C@@H]1O[C@H](COC(=O)CCCCCCCCCC(C)C)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C59H90O8/c1-45(2)28-18-16-14-13-15-17-19-41-53(60)65-44-52-54(61)55(62)56(63)57(66-52)67-59(11,12)43-27-40-51(8)38-25-36-49(6)34-23-32-47(4)30-21-20-29-46(3)31-22-33-48(5)35-24-37-50(7)39-26-42-58(9,10)64/h20-27,29-40,45,52,54-57,61-64H,13-19,28,41-44H2,1-12H3/b21-20+,31-22+,32-23+,35-24+,36-25+,39-26+,40-27+,46-29+,47-30+,48-33+,49-34+,50-37+,51-38+/t52-,54-,55+,56-,57+/m1/s1
InChIKeyYOTMSGULIKMYJV-HDRMPRPCSA-N
Species of MetaboliteComponentSourceComments
Polyangium fumosum (ncbitaxon:889272) - DOI (10.1002/jlac.1995199505126)
ChEBI Ontology
Outgoing Relation(s)
1'-(6"-0-(I I " '-methyllauryl) -P-glucopyranosyloxy]-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-I -hydroxy-yl, yl-carotene (CHEBI:200865) is a xanthophyll (CHEBI:27325)
IUPAC Name 
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-31-hydroxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaen-2-yl]oxyoxan-2-yl]methyl 11-methyldodecanoate
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