(Q104989154)

English

[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[3,4,5-Trihydroxy-6-[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

488.131861588 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₄H₂₄O₁₁

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canonical SMILES

O=C(OCC1OC(OC2=CC=3OC=C(C(=O)C3C=C2OC)C=4C=CC(O)=CC4)C(O)C(O)C1O)C

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isomeric SMILES

COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O[C@@H]1O[C@@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

soybean

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stated in

A new isoflavone glycoside in soybean seeds(Glycine max Merrill), glycitein 7-O-.BETA.-D-(6''-O-acetyl)-glucopyranoside.

Identifiers

InChI

InChI=1S/C24H24O11/c1-11(25)32-10-19-21(28)22(29)23(30)24(35-19)34-18-8-16-14(7-17(18)31-2)20(27)15(9-33-16)12-3-5-13(26)6-4-12/h3-9,19,21-24,26,28-30H,10H2,1-2H3/t19-,21+,22-,23+,24+/m0/s1

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InChIKey

DUBPGEJGGVZKDD-LKAHAZCJSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

DUBPGEJGGVZKDD-LKAHAZCJSA-N

1 reference

(Q104989154)

[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate

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