input word = C00029178

Metabolite InformationStructural formula
Name Varamine B
Formula C21H21N3O2S
Mw 379.13544767
CAS RN 122093-16-7
C_ID C00029178 ,
InChIKey ZXFLZRXTBNTTBT-UHFFFAOYSA-N
InChICode InChI=1S/C21H21N3O2S/c1-12(25)22-10-9-15-18-17-14(13-6-4-5-7-16(13)24-18)8-11-23-19(17)20(26-2)21(15)27-3/h4-8,11,24H,9-10H2,1-3H3,(H,22,25)
SMILES c12c([nH]c3c4c1ccnc4c(c(c3CCNC(=O)C)SC)OC)cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate IPP
Organism
Kingdom Family Species Reference
AnimaliaDidemnidaeLissoclinum vareau Ref.
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OrganismLissoclinum vareau
ReferenceSearle,J.Org.Chem.,59,(1994),6600