input word = C00001780

Metabolite InformationStructural formula
Name Usambarine
Formula C30H34N4
Mw 450.27834711
CAS RN 35226-29-0
C_ID C00001780 ,
InChIKey JICXOAIUPFUZPK-IJMCCIEANA-N
InChICode InChI=1S/C30H34N4/c1-3-19-18-34-15-13-24-22-9-5-7-11-26(22)32-30(24)28(34)17-20(19)16-27-29-23(12-14-33(27)2)21-8-4-6-10-25(21)31-29/h3-11,19-20,27-28,31-32H,1,12-18H2,2H3/t19-,20+,27+,28+/m1/s1
SMILES c12c3c([nH]c1[C@H]1N(CC2)C[C@H]([C@H](C1)C[C@@H]1N(CCc2c1[nH]c1c2cccc1)C)C=C)cccc3
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos usambarensis Ref.
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