input word = C00024513

Metabolite InformationStructural formula
Name Anomalin
Anomaline
Formula C22H30N2O4
Mw 386.22055746
CAS RN 88660-02-0
C_ID C00024513 ,
InChIKey XYPHRTDTBOZCJF-AYRJXEAFNA-N
InChICode InChI=1S/C22H30N2O4/c1-4-21-9-7-16-22(10-12-23(20(21)22)11-8-17(21)26)14-5-6-15(28-3)19(27)18(14)24(16)13(2)25/h5-6,16-17,20,26-27H,4,7-12H2,1-3H3/t16-,17-,20-,21+,22-/m0/s1
SMILES c1c(c(c2c(c1)[C@@]13[C@@H](N2C(=O)C)CC[C@]2([C@@H]1N(CC[C@@H]2O)CC3)CC)O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica furcijuga KITAGAWA Ref.
PlantaeApiaceaeAngelica totaomae Ref.
PlantaeApiaceaeSeseli dichotomum Ref.
PlantaeApiaceaeSeseli eriocephalum Ref.
PlantaeApiaceaeSeseli petraeum Ref.
PlantaeApiaceaeSeseli ponticum Ref.
PlantaeApocynaceaeMicroplumeria anomala Ref.
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