input word = C00039633

Metabolite InformationStructural formula
Name Lissoclinotoxin E
Formula C26H38N2O4S4
Mw 570.17144064
CAS RN 541511-99-3
C_ID C00039633 ,
InChIKey RKXCFLRMPUNAQQ-UHFFFAOYSA-N
InChICode InChI=1S/C26H38N2O4S4/c1-27(2)13-11-15-21(33-9)17(29-5)19(31-7)25-23(15)35-24-16(12-14-28(3)4)22(34-10)18(30-6)20(32-8)26(24)36-25/h11-14H2,1-10H3
SMILES COc1c(OC)c2c(c(CCN(C)C)c1SC)Sc1c(CCN(C)C)c(SC)c(OC)c(OC)c1S2
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
AnimaliaDidemnidaeLissoclinum cf. badium Ref.
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