(Q105223289)

English

[(2R,3S,4S,4aS,10bS)-3,8,10-trihydroxy-2-(hydroxymethyl)-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-4-yl] 3,4,5-trihydroxybenzoate

chemical compound

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instance of

type of chemical entity

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subclass of

[(4aR,10bR)-3,8,10-trihydroxy-2-(hydroxymethyl)-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-4-yl] 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

480.0903907 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S,3S,4R,4aR,10bS)-3,8,10-trihydroxy-2-(hydroxymethyl)-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-4-yl] 3,4,5-trihydroxybenzoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(2R,3R,4S,4aS,10bS)-3,8,10-trihydroxy-2-(hydroxymethyl)-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-4-yl] 3,4,5-trihydroxybenzoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₀O₁₃

0 references

canonical SMILES

O=C(OC1C(O)C(OC2C3=C(O)C(OC)=C(O)C=C3C(=O)OC21)CO)C4=CC(O)=C(O)C(O)=C4

0 references

isomeric SMILES

COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H]1OC2=O

0 references

found in taxon

Rodgersia podophylla

1 reference

stated in

Three new flavonol glycosides from the aerial parts of Rodgersia podophylla

Identifiers

InChI

InChI=1S/C21H20O13/c1-31-16-10(25)4-7-12(15(16)28)17-19(34-21(7)30)18(14(27)11(5-22)32-17)33-20(29)6-2-8(23)13(26)9(24)3-6/h2-4,11,14,17-19,22-28H,5H2,1H3/t11-,14+,17+,18+,19+/m1/s1

0 references

InChIKey

QKSHSFQTWCKTFV-LEQFJHBKSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105223289)

[(2R,3S,4S,4aS,10bS)-3,8,10-trihydroxy-2-(hydroxymethyl)-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-4-yl] 3,4,5-trihydroxybenzoate

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