input word = C00011217

Metabolite InformationStructural formula
Name Costaclavine
Formula C16H20N2
Mw 240.16264865
CAS RN 436-41-9
C_ID C00011217 ,
InChIKey VLMZMRDOMOGGFA-VDDDLEKWNA-N
InChICode InChI=1S/C16H20N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-5,8,10,13,15,17H,6-7,9H2,1-2H3/t10-,13+,15-/m1/s1
SMILES c1c2c3c(cc1)[C@H]1[C@@H](Cc3c[nH]2)N(C[C@@H](C1)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp IPP
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium chermesinum Ref.
PlantaePoaceaeFestuca rubra Ref.
PlantaePoaceaeTrisetum bifidum Ohwi Ref.
--Agropyrum semicostatum Ref.
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