(Q104888319)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

1-[[3-ethenyl-5-methoxycarbonyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

574.216259908 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(5S)-5-Carboxystrictosidine

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₄N₂O₁₁

0 references

canonical SMILES

O=C(O)C1NC(C=2NC=3C=CC=CC3C2C1)CC4C(=COC(OC5OC(CO)C(O)C(O)C5O)C4C=C)C(=O)OC

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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)OC)[C@@H]1C[C@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21

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found in taxon

Amsonia orientalis

1 reference

stated in

The Isolation and Structure of Strictimine, a New Piperidine Alkaloid from the Roots of Rhazya stricta

Chimarrhis turbinata

1 reference

stated in

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

Psychotria bahiensis

1 reference

stated in

Novel bis(monoterpenoid) indole alkaloids from Psychotria bahiensis

Identifiers

InChI

InChI=1S/C28H34N2O11/c1-3-12-14(8-18-21-15(9-19(29-18)25(35)36)13-6-4-5-7-17(13)30-21)16(26(37)38-2)11-39-27(12)41-28-24(34)23(33)22(32)20(10-31)40-28/h3-7,11-12,14,18-20,22-24,27-34H,1,8-10H2,2H3,(H,35,36)/t12-,14-,18-,19+,20-,22-,23+,24-,27+,28+/m1/s1

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InChIKey

LHKZIVMTXZLOTP-BZAIPKEHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LHKZIVMTXZLOTP-BZAIPKEHSA-N

(Q104888319)

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

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Identifiers

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