(Q105304858)

English

(2S)-5-hydroxy-8-[(E)-4-hydroxy-3-methylbut-2-enyl]-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

chemical compound

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instance of

type of chemical entity

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subclass of

5-Hydroxy-8-(4-hydroxy-3-methylbut-2-enyl)-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

1 reference

1 reference

518.17881178 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-5-hydroxy-8-[(E)-4-hydroxy-3-methylbut-2-enyl]-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₀O₁₁

0 references

canonical SMILES

O=C1C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C(=C2OC(C4=CC=C(O)C=C4)C1)CC=C(C)CO

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isomeric SMILES

C/C(=C\Cc1c(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O)CO

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found in taxon

Phellodendron chinense var. glabriusculum

1 reference

stated in

Constituents of Leaves of Phellodendron chinense var. glabriusculum

Identifiers

InChI

InChI=1S/C26H30O11/c1-12(10-27)2-7-15-19(36-26-24(34)23(33)22(32)20(11-28)37-26)9-17(31)21-16(30)8-18(35-25(15)21)13-3-5-14(29)6-4-13/h2-6,9,18,20,22-24,26-29,31-34H,7-8,10-11H2,1H3/b12-2+/t18-,20-,22+,23-,24+,26+/m0/s1

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InChIKey

WGRQQDUXRSBBSB-SRUCQMGVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WGRQQDUXRSBBSB-SRUCQMGVSA-N

(Q105304858)

(2S)-5-hydroxy-8-[(E)-4-hydroxy-3-methylbut-2-enyl]-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

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