(Q105301027)

English

3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-[3,4-Dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

594.15847026 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₀O₁₅

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canonical SMILES

O=C1C(OC2OC(CO)C(OC3OCC(O)C(O)C3O)C(O)C2O)=C(OC4=CC(OC)=CC(O)=C14)C=5C=CC(O)=CC5

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isomeric SMILES

COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc2c1

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found in taxon

Meehania urticifolia

1 reference

stated in

Meehanines A-K, spermidine alkaloidal glycosides from Meehania urticifolia

Nervilia fordii

1 reference

stated in

7-O-methylkaempferol and -quercetin glycosides from the whole plant of Nervilia fordii.

Identifiers

InChI

InChI=1S/C27H30O15/c1-37-12-6-13(30)17-15(7-12)39-23(10-2-4-11(29)5-3-10)25(19(17)33)42-27-22(36)20(34)24(16(8-28)40-27)41-26-21(35)18(32)14(31)9-38-26/h2-7,14,16,18,20-22,24,26-32,34-36H,8-9H2,1H3/t14-,16-,18+,20-,21-,22-,24-,26+,27+/m1/s1

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InChIKey

WBTDUTNLGFJNTJ-KZDOJYNVSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105301027)

3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one

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