(Q105224791)

English

1,4-dihydroxy-2-methoxy-3-methyl-5-[(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

462.116211524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₂O₁₁

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canonical SMILES

O=C1C=2C=CC=C(OC3OC(CO)C(O)C(O)C3O)C2C(=O)C4=C(O)C(=C(OC)C(O)=C14)C

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isomeric SMILES

COc1c(C)c(O)c2c(c1O)C(=O)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O

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found in taxon

Senna obtusifolia

1 reference

stated in

Studies on the constituents of the seeds of Cassia obtusifolia LINN. The structures of two new anthraquinone glycosides.

Saururus chinensis

1 reference

stated in

Studies of Constituents of Saururus chinensis

Identifiers

InChI

InChI=1S/C22H22O11/c1-7-14(24)12-13(18(28)21(7)31-2)15(25)8-4-3-5-9(11(8)17(12)27)32-22-20(30)19(29)16(26)10(6-23)33-22/h3-5,10,16,19-20,22-24,26,28-30H,6H2,1-2H3/t10-,16-,19+,20-,22-/m1/s1

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InChIKey

QOCKEYMCQQIHAO-JYWOUDSPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QOCKEYMCQQIHAO-JYWOUDSPSA-N

1 reference

(Q105224791)

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

Statements

Identifiers

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