input word = C00025865

Metabolite InformationStructural formula
Name Ervahanine C
Formula C42H50N4O4
Mw 674.38320611
CAS RN 80981-95-9
C_ID C00025865 ,
InChIKey JSVJVPGYVMTAAH-JRXWSOMVNA-N
InChICode InChI=1S/C42H50N4O4/c1-6-24-17-23-20-42(41(48)50-5)38-29(15-16-46(21-23)39(24)42)27-12-10-13-28(36(27)44-38)31-18-30-25(7-2)22-45(3)34(35(30)40(47)49-4)19-32-26-11-8-9-14-33(26)43-37(31)32/h7-14,23-24,30-31,34-35,39,43-44H,6,15-22H2,1-5H3/b25-7+/t23-,24+,30+,31-,34+,35-,39+,42-/m1/s1
SMILES C/C=C1CN(C)C2Cc3c([nH]c4ccccc34)C(c3cccc4c5c([nH]c34)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.
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OrganismTabernaemontana bufalina Lour.
ReferenceFeng,J.Nat.Prod.,44,(1981),670