(Q105148919)

English

1beta,2-O-(4,6-Dihydroxy-5-methoxy-1,2-phenylenecarbonyl)-3-O,6-O-bis(3,4,5-trihydroxybenzoyl)-1-deoxy-beta-D-glucopyranose

chemical compound

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instance of

type of chemical entity

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subclass of

[3,8,10-trihydroxy-9-methoxy-6-oxo-4-(3,4,5-trihydroxybenzoyl)oxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

632.101349308 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,3S,4S,4aS,10bS)-3,8,10-trihydroxy-9-methoxy-6-oxo-4-(3,4,5-trihydroxybenzoyl)oxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₂₄O₁₇

0 references

canonical SMILES

O=C(OCC1OC2C3=C(O)C(OC)=C(O)C=C3C(=O)OC2C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C1O)C5=CC(O)=C(O)C(O)=C5

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isomeric SMILES

COc1c(O)cc2c(c1O)[C@@H]1O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H]1OC2=O

0 references

found in taxon

Lotus corniculatus

1 reference

stated in

Gallic acid esters of bergenin and norbergenin from Mallotus japonicus

Mallotus japonicus

1 reference

stated in

Gallic acid esters of bergenin and norbergenin from Mallotus japonicus

Identifiers

InChI

InChI=1S/C28H24O17/c1-41-22-15(33)6-10-17(21(22)37)23-25(45-28(10)40)24(44-27(39)9-4-13(31)19(35)14(32)5-9)20(36)16(43-23)7-42-26(38)8-2-11(29)18(34)12(30)3-8/h2-6,16,20,23-25,29-37H,7H2,1H3/t16-,20-,23+,24+,25+/m1/s1

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InChIKey

LASUFZXDCFZCRI-BDUOHZCHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LASUFZXDCFZCRI-BDUOHZCHSA-N

1 reference

(Q105148919)

1beta,2-O-(4,6-Dihydroxy-5-methoxy-1,2-phenylenecarbonyl)-3-O,6-O-bis(3,4,5-trihydroxybenzoyl)-1-deoxy-beta-D-glucopyranose

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