input word =
C00025709
Metabolite Information
Structural formula
Name
11-Demethylconoduramine
Formula
C42H50N4O5
Mw
690.37812074
CAS RN
95066-49-2
C_ID
C00025709 ,
InChIKey
MWTHBNIWYPKNEY-HCBMXOAHNA-N
InChICode
InChI=1S/C42H50N4O5/c1-6-23-14-22-19-42(41(49)51-5)38-26(12-13-46(20-22)39(23)42)28-16-29(35(47)18-33(28)44-38)30-15-27-24(7-2)21-45(3)34(36(27)40(48)50-4)17-31-25-10-8-9-11-32(25)43-37(30)31/h7-11,16,18,22-23,27,30,34,36,39,43-44,47H,6,12-15,17,19-21H2,1-5H3/b24-7+/t22-,23+,27-,30-,34-,36-,39+,42+/m0/s1
SMILES
C/C=C1CN(C)C2Cc3c([nH]c4ccccc34)C(c3cc4c5c([nH]c4cc3O)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
Plantae
Apocynaceae
Tabernaemontana pachysiphon Stapf.
Ref.
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