input word = C00029177

Metabolite InformationStructural formula
Name Varamine A
Formula C22H23N3O2S
Mw 393.15109773
CAS RN 122093-14-5
C_ID C00029177 ,
InChIKey ATGZYGBQIFBZRA-UHFFFAOYSA-N
InChICode InChI=1S/C22H23N3O2S/c1-4-17(26)23-11-10-15-19-18-14(13-7-5-6-8-16(13)25-19)9-12-24-20(18)21(27-2)22(15)28-3/h5-9,12,25H,4,10-11H2,1-3H3,(H,23,26)
SMILES CCC(=O)NCCc1c(SC)c(OC)c2nccc3c2c1Nc1ccccc1-3
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin IPP
Organism
Kingdom Family Species Reference
AnimaliaDidemnidaeLissoclinum vareau Ref.
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