input word = C00025863

Metabolite InformationStructural formula
Name Ervahanine A
Formula C42H50N4O4
Mw 674.38320611
CAS RN 80981-93-7
C_ID C00025863 ,
InChIKey PBQMJIQJGPNOKV-ONAMSPKSNA-N
InChICode InChI=1S/C42H50N4O4/c1-6-24-16-23-20-42(41(48)50-5)38-29(14-15-46(21-23)39(24)42)28-13-12-26(17-34(28)44-38)31-18-30-25(7-2)22-45(3)35(36(30)40(47)49-4)19-32-27-10-8-9-11-33(27)43-37(31)32/h7-13,17,23-24,30-31,35-36,39,43-44H,6,14-16,18-22H2,1-5H3/b25-7-/t23-,24-,30+,31-,35+,36-,39+,42-/m1/s1
SMILES C/C=C1/CN(C)C2Cc3c([nH]c4ccccc34)C(c3ccc4c5c([nH]c4c3)C3(C(=O)OC)CC4CC(CC)C3N(CC5)C4)CC1C2C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana bufalina Lour. Ref.
PlantaeApocynaceaeTabernaemontana corymbosa Ref.
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