input word = C00011369

Metabolite InformationStructural formula
Name Agelasidine A
Formula C18H33N3O2S
Mw 355.22934805
CAS RN 87853-53-0
C_ID C00011369 ,
InChIKey HTMRIMAGHVWENK-YWCNNBTFNA-N
InChICode InChI=1S/C18H33N3O2S/c1-6-18(5,24(22,23)14-13-21-17(19)20)12-8-11-16(4)10-7-9-15(2)3/h6,9,11H,1,7-8,10,12-14H2,2-5H3,(H4,19,20,21)/b16-11+/t18-/m1/s1
SMILES CC(=CCC/C(=C/CC[C@@](C=C)(S(=O)(=O)CCNC(=N)N)C)/C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas nakamurai Ref.
AnimaliaAgelasidaeAgelas sp. Ref.
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OrganismAgelas nakamurai
ReferenceCapon,J. Am. Chem. Soc.,106,(1984),1819

Nakamura,J.Org.Chem.,50,(1985),2494