(Q104971308)

English

8-hydroxy-1-methyl-9,10-dioxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl]oxyanthracene-2-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

8-Hydroxy-1-methyl-9,10-dioxo-3-[3,4,5-trihydroxy-6-(3-phenylprop-2-enoyloxymethyl)oxan-2-yl]oxyanthracene-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

590.142426272 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₂₆O₁₂

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canonical SMILES

O=C(O)C1=C(OC2OC(COC(=O)C=CC=3C=CC=CC3)C(O)C(O)C2O)C=C4C(=O)C=5C=CC=C(O)C5C(=O)C4=C1C

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isomeric SMILES

Cc1c(C(=O)O)c(O[C@@H]2O[C@H](COC(=O)/C=C/c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)cc2c1C(=O)c1c(O)cccc1C2=O

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found in taxon

Rheum palmatum

1 reference

stated in

Two new anthraquinone glycosides from the roots of Rheum palmatum.

Identifiers

InChI

InChI=1S/C31H26O12/c1-14-22-17(25(34)16-8-5-9-18(32)24(16)27(22)36)12-19(23(14)30(39)40)42-31-29(38)28(37)26(35)20(43-31)13-41-21(33)11-10-15-6-3-2-4-7-15/h2-12,20,26,28-29,31-32,35,37-38H,13H2,1H3,(H,39,40)/b11-10+/t20-,26-,28+,29-,31-/m1/s1

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InChIKey

CWJAYNFVCNMNAW-GCPQAAKVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CWJAYNFVCNMNAW-GCPQAAKVSA-N

(Q104971308)

8-hydroxy-1-methyl-9,10-dioxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl]oxyanthracene-2-carboxylic acid

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