(Q27125638)

16-Hydroxytabersonine (English)

6 October 2016

chemical formula

C₂₁H₂₅N₂O₃⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC12CC(=C3C4(C1[NH+](CC4)CC=C2)C5=C(N3)C=C(C=C5)O)C(=O)OC

1 reference

16-Hydroxytabersonine (English)

6 October 2016

isomeric SMILES

CC[C@]12CC(=C3[C@@]4([C@H]1[NH+](CC4)CC=C2)C5=C(N3)C=C(C=C5)O)C(=O)OC

1 reference

16-Hydroxytabersonine (English)

InChI=1S/C21H24N2O3/c1-3-20-7-4-9-23-10-8-21(19(20)23)15-6-5-13(24)11-16(15)22-17(21)14(12-20)18(25)26-2/h4-7,11,19,22,24H,3,8-10,12H2,1-2H3/p+1/t19-,20-,21-/m0/s1

6 October 2016

Identifiers

InChI

1 reference

16-Hydroxytabersonine (English)

FXUFRJQCBVSCRZ-ACRUOGEOSA-O

6 October 2016

InChIKey

2 references

16-Hydroxytabersonine (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5alpha,12beta,19alpha)-16-Hydroxy-3-(methoxycarbonyl)-2,3,6,7-tetradehydroaspidospermidin-9-ium (English)

6 October 2016

1 reference

16-Hydroxytabersonine (English)

6 October 2016

ChEBI ID

58239

mapping relation type

1 reference