(Q105112154)

English

5,7-dihydroxy-4-oxo-2-phenyl-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromene-8-sulfonic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5,7-Dihydroxy-4-oxo-2-phenyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromene-8-sulfonic acid

1 reference

based on heuristic

inferred from SMILES

mass

512.0624617 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

5,7-dihydroxy-4-oxo-2-phenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromene-8-sulfonic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₀O₁₃S

0 references

canonical SMILES

O=C1C(OC2OC(CO)C(O)C(O)C2O)=C(OC=3C1=C(O)C=C(O)C3S(=O)(=O)O)C=4C=CC=CC4

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isomeric SMILES

O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c(-c2ccccc2)oc2c(S(=O)(=O)O)c(O)cc(O)c12

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found in taxon

Phyllanthus virgatus

1 reference

stated in

Tannins, flavonol sulfonates, and a norlignan from phyllanthus virgatus

Identifiers

InChI

InChI=1S/C21H20O13S/c22-7-11-13(25)15(27)16(28)21(32-11)34-19-14(26)12-9(23)6-10(24)20(35(29,30)31)18(12)33-17(19)8-4-2-1-3-5-8/h1-6,11,13,15-16,21-25,27-28H,7H2,(H,29,30,31)/t11-,13-,15+,16+,21+/m1/s1

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InChIKey

IFHBLQSSJDMWJS-STBDCULYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IFHBLQSSJDMWJS-STBDCULYSA-N

(Q105112154)

5,7-dihydroxy-4-oxo-2-phenyl-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromene-8-sulfonic acid

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