(Q105277779)

English

2-(3,4-dihydroxyphenyl)-3-hydroxy-7-[(2S,3R,4S,5S,6S)-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

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subclass of

flavone

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mass

448.10056146 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₀O₁₁

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canonical SMILES

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

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isomeric SMILES

O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12

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found in taxon

Baptisia bracteata

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stated in

Distribution of flavonoids in the genus baptisia (leguminosae)

Baptisia calycosa

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stated in

Distribution of flavonoids in the genus baptisia (leguminosae)

Baptisia nuttalliana

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stated in

Distribution of flavonoids in the genus baptisia (leguminosae)

Baptisia simplicifolia

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stated in

Distribution of flavonoids in the genus baptisia (leguminosae)

Baptisia sphaerocarpa

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stated in

Distribution of flavonoids in the genus baptisia (leguminosae)

Identifiers

InChI

InChI=1S/C21H20O11/c22-7-14-16(26)17(27)19(29)21(32-14)30-9-2-3-10-13(6-9)31-20(18(28)15(10)25)8-1-4-11(23)12(24)5-8/h1-6,14,16-17,19,21-24,26-29H,7H2/t14-,16+,17-,19+,21+/m0/s1

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InChIKey

URHHTKHELOPLSX-WQEIZXBSSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

URHHTKHELOPLSX-WQEIZXBSSA-N

1 reference

(Q105277779)

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

Statements

Identifiers

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