(Q105349168)

English

5-hydroxy-3-(4-hydroxyphenyl)-8-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-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-3-(4-hydroxyphenyl)-8-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

462.116211524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₂O₁₁

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canonical SMILES

O=C1C(=COC2=C(OC)C(OC3OC(CO)C(O)C(O)C3O)=CC(O)=C12)C=4C=CC(O)=CC4

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isomeric SMILES

COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12

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found in taxon

Wisteria brachybotrys

1 reference

stated in

Isoflavones from the gall and wood of Wisteria brachybotrys

Identifiers

InChI

InChI=1S/C22H22O11/c1-30-20-13(32-22-19(29)18(28)17(27)14(7-23)33-22)6-12(25)15-16(26)11(8-31-21(15)20)9-2-4-10(24)5-3-9/h2-6,8,14,17-19,22-25,27-29H,7H2,1H3/t14-,17-,18+,19-,22-/m1/s1

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InChIKey

YJBZWKGFYVMPDY-MAEOEUOPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YJBZWKGFYVMPDY-MAEOEUOPSA-N

1 reference

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

retrieved

15 January 2022

InChIKey

YJBZWKGFYVMPDY-MAEOEUOPSA-N

(Q105349168)

5-hydroxy-3-(4-hydroxyphenyl)-8-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

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Identifiers

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