(Q105257963)

English

(4S)-4beta-[(S)-1,2,3,4-Tetrahydro-6-methoxy-7-hydroxyisoquinoline-1-ylmethyl]-5beta-vinyl-6alpha-(beta-D-glucopyranosyloxy)-5,6-dihydro-4H-pyran-3-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

3-ethenyl-4-[(7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

523.205360876 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-4alpha-[[(1R)-6-Methoxy-7-hydroxy-1,2,3,4-tetrahydroisoquinoline]-1beta-ylmethyl]-3alpha-ethenyl-2beta-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₃NO₁₁

0 references

canonical SMILES

O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC3NCCC4=CC(OC)=C(O)C=C43

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isomeric SMILES

C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1C[C@@H]1NCCc2cc(OC)c(O)cc21

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found in taxon

Alangium lamarckii

1 reference

stated in

Tetrahydroisoquinoline-monoterpene and iridoid glycosides from Alangium lamarckii

Alangium salviifolium

1 reference

stated in

Tetrahydroisoquinoline-monoterpene and iridoid glycosides from Alangium lamarckii

Identifiers

InChI

InChI=1S/C25H33NO11/c1-3-12-14(7-16-13-8-17(28)18(34-2)6-11(13)4-5-26-16)15(23(32)33)10-35-24(12)37-25-22(31)21(30)20(29)19(9-27)36-25/h3,6,8,10,12,14,16,19-22,24-31H,1,4-5,7,9H2,2H3,(H,32,33)/t12-,14+,16+,19-,20-,21+,22-,24+,25+/m1/s1

0 references

InChIKey

SQIULMODQKFOOJ-ONGZBVEHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SQIULMODQKFOOJ-ONGZBVEHSA-N

1 reference

NMRShiftDB structure ID

10007827

1 reference

matched by identifier from

InChIKey

SQIULMODQKFOOJ-ONGZBVEHSA-N

(Q105257963)

(4S)-4beta-[(S)-1,2,3,4-Tetrahydro-6-methoxy-7-hydroxyisoquinoline-1-ylmethyl]-5beta-vinyl-6alpha-(beta-D-glucopyranosyloxy)-5,6-dihydro-4H-pyran-3-carboxylic acid

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