(Q105031776)

English

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxochromene-8-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

8C-substituted isoflavone

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mass

476.09547608 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₀O₁₂

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canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C2=C(O)C=C(O)C=3C(=O)C(=COC23)C=4C=CC(O)=CC4

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isomeric SMILES

O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12

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found in taxon

Dalbergia sissoo

1 reference

stated in

Constituents of Dalbergia sissoo Roxb. leaves with osteogenic activity.

Identifiers

InChI

InChI=1S/C22H20O12/c23-6-13-17(28)18(29)19(30)22(33-13)34-21(31)15-12(26)5-11(25)14-16(27)10(7-32-20(14)15)8-1-3-9(24)4-2-8/h1-5,7,13,17-19,22-26,28-30H,6H2/t13-,17-,18+,19-,22+/m1/s1

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InChIKey

HPNXCXAQMYTKDP-WJKICZCMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HPNXCXAQMYTKDP-WJKICZCMSA-N

(Q105031776)

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxochromene-8-carboxylate

Statements

Identifiers

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