input word = C00047087

Metabolite InformationStructural formula
Name Rotundine B
(-)-Rotundine B
Formula C15H23NO
Mw 233.17796436
CAS RN 270918-29-1
C_ID C00047087 ,
InChIKey IMDXDPUTIISQIM-PUPNTHPHNA-N
InChICode InChI=1S/C15H23NO/c1-10(17)5-6-12-9-13-11(2)16-8-7-14(13)15(12,3)4/h7-8,10,12,17H,5-6,9H2,1-4H3/t10-,12-/m1/s1
SMILES Cc1nccc2c1CC(CC[C@@H](C)O)C2(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp
Organism
Kingdom Family Species Reference
PlantaeCyperaceaeCyperus rotundus Ref.
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