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CHEBI:156523 - (β-D-glucosyl)6-(1→4)-2-O-methyl-β-D-glucosyl-(1→4)-β-D-glucosyl-O-mycofactocinone

ChEBI IDCHEBI:156523
ChEBI Name(β-D-glucosyl)6-(1→4)-2-O-methyl-β-D-glucosyl-(1→4)-β-D-glucosyl-O-mycofactocinone
Stars
ASCII Name(beta-D-glucosyl)6-(1->4)-2-O-methyl-beta-D-glucosyl-(1->4)-beta-D-glucosyl-O-mycofactocinone
DefinitionPublished in DOI:10.1039/d0sc01172j
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC62H97NO43
Net Charge0
Average Mass1544.422
Monoisotopic Mass1543.54343
SMILESCO[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](Oc3ccc(CC4NC(=O)C(=O)C4(C)C)cc3)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C62H97NO43/c1-62(2)27(63-53(89)52(62)88)8-17-4-6-18(7-5-17)91-54-37(81)30(74)49(25(15-70)93-54)106-61-51(90-3)43(87)50(26(16-71)99-61)105-60-42(86)35(79)48(24(14-69)98-60)104-59-41(85)34(78)47(23(13-68)97-59)103-58-40(84)33(77)46(22(12-67)96-58)102-57-39(83)32(76)45(21(11-66)95-57)101-56-38(82)31(75)44(20(10-65)94-56)100-55-36(80)29(73)28(72)19(9-64)92-55/h4-7,19-51,54-61,64-87H,8-16H2,1-3H3,(H,63,89)/t19-,20-,21-,22-,23-,24-,25-,26-,27?,28-,29+,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,51-,54-,55+,56+,57+,58+,59+,60+,61+/m1/s1
InChIKeyNNVHIZCUESTHQU-VVDKBZJPSA-N
ChEBI Ontology
Outgoing Relation(s)
(β-D-glucosyl)6-(1→4)-2-O-methyl-β-D-glucosyl-(1→4)-β-D-glucosyl-O-mycofactocinone (CHEBI:156523) is a (β-D-glucosyl)-O-mycofactocinone (CHEBI:156519)
Synonym  Source
MMFT-8SUBMITTER
UniProt Name  Source
(β-D-glucosyl)6-(1→4)-2-O-methyl-β-D-glucosyl-(1→4)-β-D-glucosyl-O-mycofactocinoneUniProt
Manual XrefsDatabases
CPD-22898MetaCyc