(Q105359654)

English

4-hydroxy-9,10-dioxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3-methoxy-3-oxopropanoyl)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

4-Hydroxy-9,10-dioxo-5-[3,4,5-trihydroxy-6-[(3-methoxy-3-oxopropanoyl)oxymethyl]oxan-2-yl]oxyanthracene-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

546.100955384 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₂₂O₁₄

0 references

canonical SMILES

O=C(O)C1=CC(O)=C2C(=O)C=3C(OC4OC(COC(=O)CC(=O)OC)C(O)C(O)C4O)=CC=CC3C(=O)C2=C1

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isomeric SMILES

COC(=O)CC(=O)OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(O)cc(C(=O)O)cc2C3=O)[C@H](O)[C@@H](O)[C@@H]1O

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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/C25H22O14/c1-36-15(27)7-16(28)37-8-14-20(30)22(32)23(33)25(39-14)38-13-4-2-3-10-18(13)21(31)17-11(19(10)29)5-9(24(34)35)6-12(17)26/h2-6,14,20,22-23,25-26,30,32-33H,7-8H2,1H3,(H,34,35)/t14-,20-,22+,23-,25-/m1/s1

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InChIKey

YSIHWESKGAFWRC-CTNIZGFHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YSIHWESKGAFWRC-CTNIZGFHSA-N

(Q105359654)

4-hydroxy-9,10-dioxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3-methoxy-3-oxopropanoyl)oxymethyl]oxan-2-yl]oxyanthracene-2-carboxylic acid

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Identifiers

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