(Q105324280)

English

methyl (2S)-3-ethenyl-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[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-carboxylate

group of stereoisomers with the chemical formula C₂₇H₃₄N₂O₉

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instance of

group of stereoisomers

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subclass of

beta-carboline alkaloid

1 reference

inferred from

beta-carboline alkaloid

mass

530.2264306679998 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₇H₃₄N₂O₉

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canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC3NCCC=4C=5C=CC=CC5NC43

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isomeric SMILES

C=CC1C(C[C@@H]2NCCc3c2[nH]c2ccccc32)C(C(=O)OC)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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Identifiers

InChI

InChI=1S/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-33H,1,8-11H2,2H3/t13?,16?,19-,20+,22+,23-,24+,26-,27-/m0/s1

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InChIKey

XBAMJZTXGWPTRM-VGTIHVKGSA-N

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PubChem CID

44575751

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XBAMJZTXGWPTRM-VGTIHVKGSA-N

(Q105324280)

methyl (2S)-3-ethenyl-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[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-carboxylate

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