(Q105331931)

English

(2S,3R,4S)-3-ethenyl-4-[(2-methylpyrido[3,4-b]indol-1-yl)methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

3-ethenyl-4-[(2-methylpyrido[3,4-b]indol-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

526.19513054 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₀N₂O₉

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canonical SMILES

O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC3=C4N=C5C=CC=CC5=C4C=CN3C

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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]1Cc1c2nc3ccccc3c-2ccn1C

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found in taxon

Strychnos mellodora

1 reference

stated in

β-Carboline glucoalkaloids from Strychnos mellodora

Identifiers

InChI

InChI=1S/C27H30N2O9/c1-3-13-16(10-19-21-15(8-9-29(19)2)14-6-4-5-7-18(14)28-21)17(25(34)35)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-9,12-13,16,20,22-24,26-27,30-33H,1,10-11H2,2H3,(H,34,35)/t13-,16+,20-,22-,23+,24-,26+,27+/m1/s1

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InChIKey

XNROSPYMQOEREU-ZAMFKGAISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XNROSPYMQOEREU-ZAMFKGAISA-N

(Q105331931)

(2S,3R,4S)-3-ethenyl-4-[(2-methylpyrido[3,4-b]indol-1-yl)methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

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