(Q105182995)

English

ethyl (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[8-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate

chemical compound

In more languages

Statements

type of chemical entity

0 references

Ethyl 3,4,5-trihydroxy-6-[8-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

474.116211524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₂O₁₁

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canonical SMILES

O=C1C=C(OC2=C(O)C(OC3OC(C(=O)OCC)C(O)C(O)C3O)=CC=C12)C=4C=CC(O)=CC4

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isomeric SMILES

CCOC(=O)[C@H]1O[C@@H](Oc2ccc3c(=O)cc(-c4ccc(O)cc4)oc3c2O)[C@H](O)[C@@H](O)[C@@H]1O

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Silybum marianum

1 reference

Flavonoids of the flowers of Silybum marianum

Identifiers

InChI=1S/C23H22O11/c1-2-31-22(30)21-18(28)17(27)19(29)23(34-21)33-14-8-7-12-13(25)9-15(32-20(12)16(14)26)10-3-5-11(24)6-4-10/h3-9,17-19,21,23-24,26-29H,2H2,1H3/t17-,18-,19+,21-,23+/m0/s1

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NPECUJYKTQHRAW-VLXBDIDVSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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