input word = C00002255

Metabolite InformationStructural formula
Name Paravallarine
Formula C22H33NO2
Mw 343.2511293
CAS RN 510-31-6
C_ID C00002255 ,
InChIKey RSFPISDAJMWREU-IPUJKDGRNA-N
InChICode InChI=1S/C22H33NO2/c1-13-17-6-7-19-16-5-4-14-12-15(23-3)8-10-21(14,2)18(16)9-11-22(17,19)20(24)25-13/h4,13,15-19,23H,5-12H2,1-3H3/t13-,15-,16+,17+,18-,19-,21-,22-/m0/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@]4(C1)[C@H](CC3)[C@@H](OC4=O)C)CC=C1[C@@]2(CC[C@@H](C1)NC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHolarrhena antidysenterica Ref.
PlantaeApocynaceaeParavallaris microphylla Ref.
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OrganismHolarrhena antidysenterica
ReferenceSun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998)