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 (CHEBI:139428)

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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

Default Structure

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ChEBI ID	CHEBI:139428
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
Stars
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
Last Modified	15 January 2018
Submitter	mwilliams
Downloads	Molfile

Formula	C54H58O32
Net Charge	0
Average Mass	1219.026
Monoisotopic Mass	1218.29112
SMILES	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4-c4c(O)cc(O)c5c(=O)c(O[C@@H]6O[C@H](CO[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)c(-c6ccc(O)c(O)c6)oc45)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
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

ChEBI Ontology

Outgoing Relation(s)
	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)

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