(Q105125997)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

isoflavone

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mass

608.174120324 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₂O₁₅

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canonical SMILES

O=C1C(=COC=2C=C(OC3OC(CO)C(O)C(O)C3OC4OCC(O)(CO)C4O)C(OC)=C(O)C12)C=5C=CC(OC)=CC5

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isomeric SMILES

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

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found in taxon

Centrosema pubescens

1 reference

stated in

Pubescidin, an isoflavone glycoside from Centrosema pubescens

Identifiers

InChI

InChI=1S/C28H32O15/c1-37-13-5-3-12(4-6-13)14-9-39-15-7-16(23(38-2)21(33)18(15)19(14)31)41-26-24(22(34)20(32)17(8-29)42-26)43-27-25(35)28(36,10-30)11-40-27/h3-7,9,17,20,22,24-27,29-30,32-36H,8,10-11H2,1-2H3/t17-,20+,22+,24-,25-,26-,27+,28+/m1/s1

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InChIKey

JEDPCSULMKYZAT-ZRCZSIFISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JEDPCSULMKYZAT-ZRCZSIFISA-N

(Q105125997)

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

Statements

Identifiers

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