(Q104253044)

English

(1R,3R,6S,7R)-3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-(3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one

group of stereoisomers with the chemical formula C₂₅H₂₂O₁₀

In more languages

Statements

group of stereoisomers

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chemical compound

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482.121296904 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₅H₂₂O₁₀

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canonical SMILES

O=C1C=2C(O)=CC(O)=CC2OC(C3=CC4C(=O)C5(O)OCC(C4C6=CC=C(O)C(OC)=C6)C35)C1O

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isomeric SMILES

COc1cc(C2[C@H]3C=C(C4Oc5cc(O)cc(O)c5C(=O)C4O)[C@H]4[C@H]2CO[C@@]4(O)C3=O)ccc1O

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Silybum marianum

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Bioactive lignans from Silybum marianum

Identifiers

InChI=1S/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3/t11-,13+,18?,20+,22?,23?,25-/m1/s1

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CYGIJEJDYJOUAN-WHEZKLCKSA-N

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1 reference

2 January 2023

based on heuristic

inferred from InChIKey

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