input word = C00002314

Metabolite InformationStructural formula
Name Androcymbine
Formula C21H25NO5
Mw 371.17327292
CAS RN 2115-98-2
C_ID C00002314 ,
InChIKey ABMMKLCVJJTPJD-BZIUYQMRNA-N
InChICode InChI=1S/C21H25NO5/c1-22-8-7-21-11-17(26-3)15(23)10-13(21)14(22)6-5-12-9-16(25-2)19(24)20(27-4)18(12)21/h9-11,14,24H,5-8H2,1-4H3/t14-,21+/m0/s1
SMILES COC1=C[C@@]23CCN(C)[C@@H](CCc4cc(OC)c(O)c(OC)c42)C3=CC1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeColchicaceaeAndrocymbium melanthioides Ref.
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