(Q105323392)

English

7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-3,4-dihydroxy-5,6-dimethyloxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)chromen-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

590.199941148 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₄O₁₃

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canonical SMILES

O=C1C=C(OC2=CC(OC3OC(COC4OC(C)C(C)C(O)C4O)C(O)C(O)C3O)=CC(O)=C12)C=5C=CC(OC)=CC5

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isomeric SMILES

COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](C)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1

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found in taxon

Buddleja officinalis

1 reference

stated in

Novel and known constituents from Buddleja species and their activity against leukocyte eicosanoid generation

Identifiers

InChI

InChI=1S/C29H34O13/c1-12-13(2)39-28(26(35)23(12)32)38-11-21-24(33)25(34)27(36)29(42-21)40-16-8-17(30)22-18(31)10-19(41-20(22)9-16)14-4-6-15(37-3)7-5-14/h4-10,12-13,21,23-30,32-36H,11H2,1-3H3/t12-,13-,21+,23+,24+,25-,26+,27+,28+,29+/m0/s1

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InChIKey

WZPYAAMCBWUTTF-IAONIYDGSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105323392)

7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-3,4-dihydroxy-5,6-dimethyloxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one

Statements

Identifiers

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