input word =
C00001787
Metabolite Information
Structural formula
Name
Vobtusine
Formula
C43H50N4O6
Mw
718.37303536
CAS RN
19772-79-3
C_ID
C00001787 ,
InChIKey
IIMPGJMHQMBXKL-XCGKBCEANA-N
InChICode
InChI=1S/C43H50N4O6/c1-50-30-9-5-7-28-32(30)47-24-38(20-25-21-39-13-18-52-31(39)10-15-45-17-12-42(28,36(39)45)43(25,47)49)23-46-16-11-41-27-6-3-4-8-29(27)44-33(41)26(34(48)51-2)22-40(35(41)46)14-19-53-37(38)40/h3-9,25,31,35-37,44,49H,10-24H2,1-2H3/t25-,31+,35+,36+,37+,38+,39-,40+,41+,42-,43-/m1/s1
SMILES
[C@]123[C@@]4([C@@H](C[C@@]56[C@@H]1N(CC[C@@H]5OCC6)CC3)C[C@@]1(CN4c3c2cccc3OC)CN2[C@H]3[C@@]4([C@H]1OCC4)CC(=C1[C@@]3(c3c(N1)cccc3)CC2)C(=O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
L-Trp
Secologanin
Organism
Kingdom
Family
Species
Reference
Plantae
Apocynaceae
Voacanga africana Stapf.
Ref.
Plantae
Apocynaceae
Voacanga obtusa
Ref.
Plantae
Apocynaceae
Voacanga spp.
Ref.
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