(Q104965661)

English

methyl (1S,4aS,7aS)-7-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl 7-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

528.210780604 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1R,4aS,7aS)-7-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-1-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1R,4aS,7aR)-7-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₂N₂O₉

0 references

canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(=CCC13)C4NCCC=5C=6C=CC=CC6NC54

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isomeric SMILES

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C([C@@H]3NCCc4c3[nH]c3ccccc43)=CC[C@H]12

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found in taxon

Eumachia montana

1 reference

stated in

Psychollatine, a glucosidic monoterpene indole alkaloid from Psychotria umbellata

Psychotria montana

1 reference

stated in

Psychollatine, a glucosidic monoterpene indole alkaloid from Psychotria umbellata

Identifiers

InChI

InChI=1S/C27H32N2O9/c1-35-25(34)16-11-36-26(38-27-24(33)23(32)22(31)18(10-30)37-27)19-13(16)6-7-15(19)20-21-14(8-9-28-20)12-4-2-3-5-17(12)29-21/h2-5,7,11,13,18-20,22-24,26-33H,6,8-10H2,1H3/t13-,18-,19+,20+,22-,23+,24-,26+,27+/m1/s1

0 references

InChIKey

CNDZNSRMCKQXEC-UFLFGWERSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CNDZNSRMCKQXEC-UFLFGWERSA-N

1 reference

(Q104965661)

methyl (1S,4aS,7aS)-7-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

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