(Q105164489)

English

1-hydroxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-Hydroxy-2-methyl-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione

1 reference

based on heuristic

inferred from SMILES

mass

548.152990956 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Rubiadinprimeveroside

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₂₈O₁₃

0 references

canonical SMILES

O=C1C=2C=CC=CC2C(=O)C3=C(O)C(=C(OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4O)C=C13)C

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isomeric SMILES

Cc1c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1O)C(=O)c1ccccc1C2=O

0 references

found in taxon

Rubia wallichiana

1 reference

stated in

Cytotoxic anthraquinones from the stems of Rubia wallichiana Decne

Identifiers

InChI

InChI=1S/C26H28O13/c1-9-14(6-12-16(17(9)28)19(30)11-5-3-2-4-10(11)18(12)29)38-26-24(35)22(33)21(32)15(39-26)8-37-25-23(34)20(31)13(27)7-36-25/h2-6,13,15,20-28,31-35H,7-8H2,1H3/t13-,15+,20-,21+,22-,23-,24+,25-,26+/m0/s1

0 references

InChIKey

MICKPSHQKPCYJH-DJYRLYFPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MICKPSHQKPCYJH-DJYRLYFPSA-N

(Q105164489)

1-hydroxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione

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Identifiers

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