(Q105255198)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

flavone

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mass

562.16864102 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₀O₁₃

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canonical SMILES

O=C1C=C(OC=2C=C(OC3OC(COC(=O)C(C)CC)C(O)C(O)C3O)C(OC)=C(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](Oc2cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c(O)c2OC)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Arnica chamissonis

1 reference

stated in

New Flavonoid Glycosides from Arnicae Flos DAB 91

Identifiers

InChI

InChI=1S/C27H30O13/c1-4-11(2)26(35)37-10-19-21(31)23(33)24(34)27(40-19)39-18-9-17-20(22(32)25(18)36-3)15(30)8-16(38-17)12-5-6-13(28)14(29)7-12/h5-9,11,19,21,23-24,27-29,31-34H,4,10H2,1-3H3/t11-,19-,21-,23+,24-,27-/m1/s1

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InChIKey

SLCJQMHYGNUWLY-YOGRAHPASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SLCJQMHYGNUWLY-YOGRAHPASA-N

(Q105255198)

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

Statements

Identifiers

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