input word = C00022172

Metabolite InformationStructural formula
Name Agelasidine B
Formula C23H41N3O2S
Mw 423.2919483
CAS RN 96617-50-4
C_ID C00022172 ,
InChIKey YAONXQHLTXQNBF-VXLQSYRSNA-N
InChICode InChI=1S/C23H41N3O2S/c1-7-22(5,29(27,28)17-16-26-21(24)25)14-9-10-18(2)13-15-23(6)19(3)11-8-12-20(23)4/h7,10-11,20H,1,8-9,12-17H2,2-6H3,(H4,24,25,26)/b18-10+/t20-,22+,23-/m1/s1
SMILES C1CC=C([C@]([C@@H]1C)(CC/C(=C/CC[C@@](C=C)(C)S(=O)(=O)CCNC(=N)N)/C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg Cholesterol
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas nakamurai Ref.
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OrganismAgelas nakamurai
ReferenceNakamura,J. Org. Chem.,50,(1985),2494