input word = C00049842

Metabolite InformationStructural formula
Name Strychnochrysine
Formula C38H39N4O2
Mw 583.30730152
CAS RN 201009-99-6
C_ID C00049842 ,
InChIKey KRMAJVJAPORVMD-NNHQVNRBNA-N
InChICode InChI=1S/C38H39N4O2/c1-2-22-19-40-14-11-25-24-7-3-5-9-30(24)39-35(25)32(40)17-26(22)28-21-42-31-10-6-4-8-29(31)38-13-15-41-20-23(12-16-43)27(18-33(38)41)34(36(28)44)37(38)42/h3-10,12,17,19,21,27,33-34,36-37,39,43-44H,2,11,13-16,18,20H2,1H3/b23-12-/t27-,33-,34-,36+,37-,38+/m0/s1
SMILES [C@@]123[C@@H]4[C@@H]([C@H]5C[C@@H]1N(CC2)C/C/5=C/CO)[C@@H](C(=CN4c1c3cccc1)c1c(cn2c(c1)c1c(CC2)c2c([nH]1)cccc2)CC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos nux-vomica Ref.
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