(Q105304778)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic anthraquinones

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mass

416.11073222 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₀O₉

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canonical SMILES

O=C1C=2C=CC=CC2C(=O)C=3C(OC4OC(CO)C(O)C(O)C4O)=C(O)C(=CC13)C

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isomeric SMILES

Cc1cc2c(c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1O)C(=O)c1ccccc1C2=O

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found in taxon

Cassia fistula

2 references

stated in

Four new compounds from the seeds of Cassia fistula

stated in

Four new compounds from the seeds of Cassia fistula

Picramnia latifolia

2 references

stated in

Anthrone and oxanthrone C-glycosides from Picramnia latifolia collected in Peru.

stated in

Anthrone and Oxanthrone C-Glycosides from Picramnia latifolia Collected in Peru

Bergenia hissarica

1 reference

stated in

Anthraquinones ofBergenia hissarica

Rheum palmatum

1 reference

stated in

Cytotoxic anthraquinones from Rheum pulmatum

Identifiers

InChI

InChI=1S/C21H20O9/c1-8-6-11-13(16(25)10-5-3-2-4-9(10)15(11)24)20(14(8)23)30-21-19(28)18(27)17(26)12(7-22)29-21/h2-6,12,17-19,21-23,26-28H,7H2,1H3/t12-,17-,18+,19-,21+/m1/s1

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InChIKey

WGPHZEVLQPMCID-VIVOITHDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WGPHZEVLQPMCID-VIVOITHDSA-N

1 reference

(Q105304778)

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

Statements

Identifiers

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