input word = C00001684

Metabolite InformationStructural formula
Name Amataine
Formula C43H48N4O6
Mw 716.35738529
CAS RN 31148-60-4
C_ID C00001684 ,
InChIKey RZBFPDQKWUWUCK-QNXTUVGRNA-N
InChICode InChI=1S/C43H48N4O6/c1-49-29-9-5-7-27-31(29)47-23-40-21-24-20-38-13-18-51-30(38)10-15-45-16-12-42(27,35(38)45)43(24,47)53-37(40)46-17-11-41-26-6-3-4-8-28(26)44-32(41)25(33(48)50-2)22-39(34(41)46)14-19-52-36(39)40/h3-9,24,30,34-37,44H,10-23H2,1-2H3/t24-,30-,34-,35-,36+,37+,38+,39-,40+,41-,42+,43+/m0/s1
SMILES c1ccc(c2c1[C@@]13[C@@]45N2C[C@]2(C[C@@H]4C[C@@]46[C@@H]1N(CC3)CC[C@@H]4OCC6)[C@H]1[C@]3(CC(=C4Nc6ccccc6[C@@]64[C@H]3N(CC6)[C@@H]2O5)C(=O)OC)CCO1)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHedranthera barteri Ref.
PlantaePontederiaceaeHeteranthera barteri Ref.
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