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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (β-D-glucosyl)6-(1→4)-2-O-methyl-β-D-glucosyl-(1→4)-β-D-glucosyl-O-mycofactocinone
ChEBI ID CHEBI:156523
ChEBI ASCII Name (beta-D-glucosyl)6-(1->4)-2-O-methyl-beta-D-glucosyl-(1->4)-beta-D-glucosyl-O-mycofactocinone
Definition Published in DOI:10.1039/d0sc01172j
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information ChemicalBook:CB6214708, eMolecules:509332, Selleckchem:Ellagic-acid, ZINC000003872446
Download Molfile XML SDF
Formula C62H97NO43
Net Charge 0
Average Mass 1544.422
Monoisotopic Mass 1543.54343
InChI InChI=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
InChIKey NNVHIZCUESTHQU-VVDKBZJPSA-N
SMILES C1(C(NC(C1=O)=O)CC=2C=CC(=CC2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]%10[C@@H]([C@H]([C@@H]([C@H](O%10)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)OC)O)O)(C)C
ChEBI Ontology
Outgoing (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)
Synonyms Sources
(β-D-glucosyl)6-(1→4)-2-O-methyl-β-D-glucosyl-(1→4)-β-D-glucosyl-O-mycofactocinone UniProt
MMFT-8 SUBMITTER
Manual Xref Database
CPD-22898 MetaCyc accession
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