(Q105147209)

English

2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2R,3R,4R,5R,6R)-3,5,6-trihydroxy-4-methyloxan-2-yl]oxychromen-4-one

chemical compound

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instance of

type of chemical entity

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subclass of

2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-(3,5,6-trihydroxy-4-methyloxan-2-yl)oxychromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

448.10056146 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₀O₁₁

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canonical SMILES

O=C1C(O)=C(OC2=CC(OC3OC(O)C(O)C(C)C3O)=CC(O)=C12)C=4C=CC(O)=C(O)C4

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isomeric SMILES

C[C@@H]1[C@@H](O)[C@H](O)O[C@@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c2)[C@@H]1O

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found in taxon

Aconitum baicalense

1 reference

stated in

Flavonoid glycosides from Aconitum baicalense

Aconitum turczaninowii

1 reference

stated in

Flavonoid glycosides from Aconitum baicalense

Identifiers

InChI

InChI=1S/C21H20O11/c1-7-15(25)20(29)32-21(16(7)26)30-9-5-12(24)14-13(6-9)31-19(18(28)17(14)27)8-2-3-10(22)11(23)4-8/h2-7,15-16,20-26,28-29H,1H3/t7-,15-,16-,20-,21-/m1/s1

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InChIKey

KWYHWBQEIQXCFS-QFMNYRLKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KWYHWBQEIQXCFS-QFMNYRLKSA-N

(Q105147209)

2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2R,3R,4R,5R,6R)-3,5,6-trihydroxy-4-methyloxan-2-yl]oxychromen-4-one

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