(Q105224672)

English

(2R,3S,4S)-4-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-ylmethyl)-3-ethenyl-2-[(2S,3S,4S,5R,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

4-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-ylmethyl)-3-ethenyl-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

3,4-Dehydro-strictosidinic acid

1 reference

based on heuristic

inferred from SMILES

mass

514.19513054 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₀N₂O₉

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canonical SMILES

O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC3=NCCC=4C=5C=CC=CC5NC34

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isomeric SMILES

C=C[C@H]1[C@H](CC2=NCCc3c2[nH]c2ccccc32)C(C(=O)O)=CO[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O

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found in taxon

Chimarrhis turbinata

1 reference

stated in

Indole glucoalkaloids from Chimarrhis turbinata and their evaluation as antioxidant agents and acetylcholinesterase inhibitors

Identifiers

InChI

InChI=1S/C26H30N2O9/c1-2-12-15(9-18-20-14(7-8-27-18)13-5-3-4-6-17(13)28-20)16(24(33)34)11-35-25(12)37-26-23(32)22(31)21(30)19(10-29)36-26/h2-6,11-12,15,19,21-23,25-26,28-32H,1,7-10H2,(H,33,34)/t12-,15-,19+,21-,22-,23-,25+,26-/m0/s1

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InChIKey

QNVNXPBFKQJAIB-LOTKGGKOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QNVNXPBFKQJAIB-LOTKGGKOSA-N

(Q105224672)

(2R,3S,4S)-4-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-ylmethyl)-3-ethenyl-2-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

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