input word = C00029007

Metabolite InformationStructural formula
Name Shermilamine B
Debromoshermilamine A
Formula C21H18N4O2S
Mw 390.11504658
CAS RN 122271-41-4
C_ID C00029007 ,
InChIKey IHFPKDUIXNIBMM-UHFFFAOYSA-N
InChICode InChI=1S/C21H18N4O2S/c1-11(26)22-8-7-14-18-17-13(12-4-2-3-5-15(12)24-18)6-9-23-19(17)20-21(14)28-10-16(27)25-20/h2-6,9,24H,7-8,10H2,1H3,(H,22,26)(H,25,27)
SMILES c1c2c3c(nc1)c1c(c(c3[nH]c3c2cccc3)CCNC(=O)C)SCC(=O)N1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp IPP
Organism
Kingdom Family Species Reference
AnimaliaClavelinidaeCystodytes sp. Ref.
AnimaliaDidemnidaeTrididemnum sp. Ref.
--Chelynotus semperi Ref.
zoom in