(Q104939014)

English

[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[5-hydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-oxochromen-7-yl]oxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[4,5-Dihydroxy-6-[5-hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-oxochromen-7-yl]oxy-2-(hydroxymethyl)oxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

772.200335072 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₃₆O₁₆

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canonical SMILES

O=C(OC1C(O)C(O)C(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C=4C=CC=5OC(C6=CC=C(O)C(OC)=C6)C(OC5C4)CO)OC1CO)C=CC7=CC=C(O)C=C7

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isomeric SMILES

COc1cc([C@H]2Oc3ccc(-c4cc(=O)c5c(O)cc(O[C@@H]6O[C@H](CO)[C@@H](OC(=O)/C=C/c7ccc(O)cc7)[C@H](O)[C@H]6O)cc5o4)cc3O[C@@H]2CO)ccc1O

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found in taxon

Mallotus metcalfianus

1 reference

stated in

Polyphenols isolated from antiradical extracts of Mallotus metcalfianus.

Identifiers

InChI

InChI=1S/C40H36O16/c1-50-29-13-21(5-9-24(29)44)38-32(17-41)53-30-12-20(6-10-27(30)54-38)28-16-26(46)35-25(45)14-23(15-31(35)52-28)51-40-37(49)36(48)39(33(18-42)55-40)56-34(47)11-4-19-2-7-22(43)8-3-19/h2-16,32-33,36-45,48-49H,17-18H2,1H3/b11-4+/t32-,33-,36-,37-,38-,39-,40-/m1/s1

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InChIKey

BNSXAGGTUKYCQA-VURGJDDRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BNSXAGGTUKYCQA-VURGJDDRSA-N

(Q104939014)

[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[5-hydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-oxochromen-7-yl]oxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

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Identifiers

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