input word = C00025055

Metabolite InformationStructural formula
Name (-)-Umbellamine
Formula C41H48N4O4
Mw 660.36755605
CAS RN 21851-24-1
C_ID C00025055 ,
InChIKey KYJCDNGECYROJW-RXRMBUAFNA-N
InChICode InChI=1S/C41H48N4O4/c1-5-24-22-44-17-14-40-29-18-27(33(46)20-31(29)42(3)41(40)34(44)19-28(24)39(40,23-49-41)37(47)48-4)32-21-38(6-2)13-9-15-43-16-12-26-25-10-7-8-11-30(25)45(32)35(26)36(38)43/h5,7-8,10-11,18,20,28,32,34,36,46H,6,9,12-17,19,21-23H2,1-4H3/b24-5-/t28-,32+,34?,36+,38-,39?,40-,41-/m1/s1
SMILES [C@@]12(C(=O)OC)[C@H]3/C(=C\C)/CN4[C@H]([C@@]5(N(c6cc(c([C@@H]7C[C@]8(CCCN9[C@H]8c8n7c7c(c8CC9)cccc7)CC)cc6[C@]15CC4)O)C)OC2)C3
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHunteria congolana Ref.
PlantaeApocynaceaeHunteria umbellata Ref.
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