(Q105137867)

English

6-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-7-methoxy-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

6-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

638.184685008 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

6-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]5-hydroxy-4',7-dimethoxyflavone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₄O₁₆

0 references

canonical SMILES

O=C1C=C(OC=2C=C(OC)C(OC3OC(CO)C(O)C(O)C3OC4OC(CO)C(O)C(O)C4O)=C(O)C12)C=5C=CC(OC)=CC5

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isomeric SMILES

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

0 references

found in taxon

Catalpa ovata

1 reference

stated in

Two new flavone glycosides from Catalpa ovata

Identifiers

InChI

InChI=1S/C29H34O16/c1-39-12-5-3-11(4-6-12)14-7-13(32)19-15(41-14)8-16(40-2)26(22(19)35)44-29-27(24(37)21(34)18(10-31)43-29)45-28-25(38)23(36)20(33)17(9-30)42-28/h3-8,17-18,20-21,23-25,27-31,33-38H,9-10H2,1-2H3/t17-,18-,20-,21-,23+,24+,25-,27+,28+,29+/m1/s1

0 references

InChIKey

KAJWTJDAJRTFSB-WOCKLRIBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KAJWTJDAJRTFSB-WOCKLRIBSA-N

(Q105137867)

6-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one

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