(Q104916581)

English

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(3-oxobutyl)phenoxy]oxan-2-yl]methyl 2,3,4-trihydroxybenzoate

chemical compound

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instance of

type of chemical entity

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subclass of

[3,4,5-Trihydroxy-6-[4-(3-oxobutyl)phenoxy]oxan-2-yl]methyl 2,3,4-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

478.147511652 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₆O₁₁

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canonical SMILES

O=C(OCC1OC(OC2=CC=C(C=C2)CCC(=O)C)C(O)C(O)C1O)C3=CC=C(O)C(O)=C3O

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isomeric SMILES

CC(=O)CCc1ccc(O[C@@H]2O[C@H](COC(=O)c3ccc(O)c(O)c3O)[C@@H](O)[C@H](O)[C@H]2O)cc1

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found in taxon

Rheum maximowiczii

1 reference

stated in

Phenylbutanoids and stilbene derivatives of Rheum maximowiczii

Identifiers

InChI

InChI=1S/C23H26O11/c1-11(24)2-3-12-4-6-13(7-5-12)33-23-21(30)20(29)19(28)16(34-23)10-32-22(31)14-8-9-15(25)18(27)17(14)26/h4-9,16,19-21,23,25-30H,2-3,10H2,1H3/t16-,19-,20+,21-,23-/m1/s1

0 references

InChIKey

APVZOMYLHCMSDT-JTLUYSSBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

APVZOMYLHCMSDT-JTLUYSSBSA-N

(Q104916581)

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(3-oxobutyl)phenoxy]oxan-2-yl]methyl 2,3,4-trihydroxybenzoate

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