(Q105235749)

English

(3R)-3alpha-Methyl-6-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)-8-hydroxy-3,4-dihydro-1H-2-benzopyran-1-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

8-Hydroxy-3-methyl-6-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-3,4-dihydroisochromen-1-one

1 reference

based on heuristic

inferred from SMILES

mass

488.152990956 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₈O₁₃

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canonical SMILES

O=C1OC(C)CC2=CC(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)=CC(O)=C12

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isomeric SMILES

C[C@@H]1Cc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2C(=O)O1

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found in taxon

Handroanthus impetiginosum

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stated in

Constituents from the bark of Tabebuia impetiginosa

Handroanthus impetiginosus

1 reference

stated in

Constituents from the bark of Tabebuia impetiginosa

Identifiers

InChI

InChI=1S/C21H28O13/c1-7-2-8-3-9(4-10(22)13(8)19(29)32-7)33-21-18(28)16(26)15(25)12(34-21)6-31-20-17(27)14(24)11(23)5-30-20/h3-4,7,11-12,14-18,20-28H,2,5-6H2,1H3/t7-,11-,12-,14+,15-,16+,17-,18-,20+,21-/m1/s1

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InChIKey

RGAZATYIEXVYLN-YSBNYFCNSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RGAZATYIEXVYLN-YSBNYFCNSA-N

1 reference

(Q105235749)

(3R)-3alpha-Methyl-6-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)-8-hydroxy-3,4-dihydro-1H-2-benzopyran-1-one

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