(Q104914947)

English

5-hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

isoflavonoid

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5-Hydroxy-6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

536.152990956 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₂₈O₁₃

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canonical SMILES

O=C1C(=COC=2C=C(OC3OC(CO)C(O)C(O)C3O)C(OC)=C(O)C12)C=4C=C(OC)C(OC)=CC4OC

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isomeric SMILES

COc1cc(OC)c(-c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c2=O)cc1OC

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found in taxon

Dalbergia riparia

1 reference

stated in

Iso- and neo-flavonoids from Dalbergia riparia

Dalbergia sissoo

1 reference

stated in

Constituents of Dalbergia sissoo Roxb. leaves with osteogenic activity.

Identifiers

InChI

InChI=1S/C25H28O13/c1-32-12-6-14(34-3)13(33-2)5-10(12)11-9-36-15-7-16(24(35-4)21(29)18(15)19(11)27)37-25-23(31)22(30)20(28)17(8-26)38-25/h5-7,9,17,20,22-23,25-26,28-31H,8H2,1-4H3/t17-,20-,22+,23-,25-/m1/s1

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InChIKey

AMUAOTIJXYEFIP-VIUVDTKASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AMUAOTIJXYEFIP-VIUVDTKASA-N

1 reference

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

15 January 2022

InChIKey

AMUAOTIJXYEFIP-VIUVDTKASA-N

(Q104914947)

5-hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one

Statements

Identifiers

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