CHEBI:139428 - 8-[6-(3-{[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2,3-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 8-[6-(3-{[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2,3-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
ChEBI ID CHEBI:139428
ChEBI ASCII Name 8-[6-(3-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2,3-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C54H58O32
Net Charge 0
Average Mass 1219.021
Monoisotopic Mass 1218.29112
InChI InChI=1S/C54H58O32/c1-13-31(62)38(69)42(73)51(79-13)77-11-25-34(65)40(71)44(75)53(82-25)85-49-37(68)30-23(61)10-22(60)29(48(30)84-46(49)15-3-5-18(56)20(58)7-15)27-17(4-6-19(57)33(27)64)47-50(36(67)28-21(59)8-16(55)9-24(28)81-47)86-54-45(76)41(72)35(66)26(83-54)12-78-52-43(74)39(70)32(63)14(2)80-52/h3-10,13-14,25-26,31-32,34-35,38-45,51-66,69-76H,11-12H2,1-2H3/t13-,14-,25+,26+,31-,32-,34+,35+,38+,39+,40-,41-,42+,43+,44+,45+,51+,52+,53-,54-/m0/s1
InChIKey LZYHPPTUVOYJCQ-ATLZJUCVSA-N
SMILES C1(=C(C=CC(=C1O)O)C=2OC3=C(C(C2O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO[C@@H]5O[C@H]([C@@H]([C@H]([C@H]5O)O)O)C)=O)C(=CC(=C3)O)O)C=6C=7OC(C8=CC(=C(C=C8)O)O)=C(C(C7C(=CC6O)O)=O)O[C@@H]9O[C@@H]([C@H]([C@@H]([C@H]9O)O)O)CO[C@@H]%10O[C@H]([C@@H]([C@H]([C@H]%10O)O)O)C
ChEBI Ontology
Outgoing 8-[6-(3-{[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2,3-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside (CHEBI:139428) is a flavonoids (CHEBI:72544)
8-[6-(3-{[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2,3-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside (CHEBI:139428) is a glycoside (CHEBI:24400)
Manual Xref Database
29814416 ChemSpider
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Last Modified
15 January 2018