(Q104977960)

English

[(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (2S)-2-methylbutanoate

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

532.158076336 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₂₈O₁₂

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Arnica chamissonis

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stated in

New Flavonoid Glycosides from Arnicae Flos DAB 91

Identifiers

InChI

InChI=1S/C26H28O12/c1-3-11(2)25(34)35-10-20-22(31)23(32)24(33)26(38-20)36-13-7-16(29)21-17(30)9-18(37-19(21)8-13)12-4-5-14(27)15(28)6-12/h4-9,11,20,22-24,26-29,31-33H,3,10H2,1-2H3/t11-,20-,22+,23-,24+,26+/m0/s1

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InChIKey

DFKGGJWKZISAJE-SFHZLUGLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DFKGGJWKZISAJE-SFHZLUGLSA-N

(Q104977960)

[(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (2S)-2-methylbutanoate

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Identifiers

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