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CHEBI:200560 - 1'-[(6-O-Mycoloyl-beta-D-glucopyranosyl)

ChEBI IDCHEBI:200560
ChEBI Name1'-[(6-O-Mycoloyl-beta-D-glucopyranosyl)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC106H180O11
Net Charge0
Average Mass1630.595
Monoisotopic Mass1629.35257
SMILESCCCCCCCCCCCCCCCCCCCCC(C(=O)OCC1OC(OC(C)(C)CCC/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/C2=C(C)C(=O)CCC2(C)C)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCCCCCCC(C)/C=C\CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C106H180O11/c1-13-14-15-16-17-18-19-20-21-22-25-28-33-38-43-48-53-58-78-94(97(108)79-59-54-49-44-39-34-29-26-23-24-27-31-36-41-46-51-56-67-87(2)68-57-52-47-42-37-32-30-35-40-45-50-55-60-80-99(109)110)103(114)115-86-98-100(111)101(112)102(113)104(116-98)117-106(11,12)84-66-77-91(6)75-64-74-90(5)73-63-71-88(3)69-61-62-70-89(4)72-65-76-92(7)81-82-95-93(8)96(107)83-85-105(95,9)10/h57,61-65,68-76,81-82,87,94,97-98,100-102,104,108,111-113H,13-56,58-60,66-67,77-80,83-86H2,1-12H3,(H,109,110)/b62-61+,68-57-,71-63+,72-65+,74-64+,82-81+,88-69+,89-70+,90-73+,91-75+,92-76+
InChIKeyWSONLVKEEHVXQK-RGSKHFLBSA-N
Species of MetaboliteComponentSourceComments
Chloroflexus aurantiacus (ncbitaxon:1108) - DOI (10.1093/oxfordjournals.pcp.a078821)
ChEBI Ontology
Outgoing Relation(s)
1'-[(6-O-Mycoloyl-beta-D-glucopyranosyl) (CHEBI:200560) is a xanthophyll (CHEBI:27325)
IUPAC Name 
(Z)-38-[[6-[(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxycarbonyl]-37-hydroxy-17-methyloctapentacont-15-enoic acid
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