(Q104988250)

English

methyl (1S,4aS,5aS,6S,9S,10aR)-1-methyl-9-oxido-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizin-9-ium-6,3'-1H-indole]-4-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Isomitraphylline N-oxide

1 reference

based on heuristic

inferred from SMILES

mass

384.168521868 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₄N₂O₅

0 references

canonical SMILES

COC(=O)C1=COC(C)C2C[N+]3([O-])CCC4(C(=O)Nc5ccccc54)C3CC12

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isomeric SMILES

COC(=O)C1=CO[C@@H](C)[C@H]2C[N@@+]3([O-])CC[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C[C@H]12

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found in taxon

Mitragyna hirsuta

1 reference

stated in

New heteroyohimbine-type oxindole alkaloid from the leaves of Thai Mitragyna hirsuta

Identifiers

InChI

InChI=1S/C21H24N2O5/c1-12-14-10-23(26)8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-28-12)19(24)27-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14+,18-,21-,23-/m0/s1

0 references

InChIKey

DTEXPPFMGPLSPX-LKYWSZFDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DTEXPPFMGPLSPX-LKYWSZFDSA-N

(Q104988250)

methyl (1S,4aS,5aS,6S,9S,10aR)-1-methyl-9-oxido-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizin-9-ium-6,3'-1H-indole]-4-carboxylate

Statements

Identifiers

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