(Q104399583)

English

5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

group of stereoisomers with the chemical formula C₂₈H₃₂O₁₅

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Statements

instance of

group of stereoisomers

0 references

1 reference

608.1741203239998 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₈H₃₂O₁₅

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canonical SMILES

O=C1C(=COC=2C=C(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)C(OC)=C(O)C12)C=5C=CC(OC)=CC5

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isomeric SMILES

COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](COC5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c2=O)cc1

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found in taxon

Pueraria montana

3 references

stated in

Kakkalide and irisolidone: HMG-CoA reductase inhibitors isolated from the flower of Pueraria thunbergiana

stated in

study of substance changes in flowers ofpueraria thunbergiana benth. during storage

stated in

Isolation and identification of urinary metabolites of kakkalide in rats

Identifiers

InChI

InChI=1S/C28H32O15/c1-37-12-5-3-11(4-6-12)13-8-39-15-7-16(26(38-2)22(33)18(15)19(13)30)42-28-25(36)23(34)21(32)17(43-28)10-41-27-24(35)20(31)14(29)9-40-27/h3-8,14,17,20-21,23-25,27-29,31-36H,9-10H2,1-2H3/t14-,17-,20+,21-,23+,24-,25-,27?,28-/m1/s1

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InChIKey

QTVAYNGFFDZGDR-FXWBBGIFSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

QTVAYNGFFDZGDR-FXWBBGIFSA-N

1 reference

(Q104399583)

5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

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Identifiers

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