input word = C00027925

Metabolite InformationStructural formula
Name Bengamide A
Formula C31H56N2O8
Mw 584.40366678
CAS RN 104947-68-4
C_ID C00027925 ,
InChIKey NKASPYGDXVCCTA-LVZFUZTINA-N
InChICode InChI=1S/C31H56N2O8/c1-5-6-7-8-9-10-11-12-13-14-15-16-26(35)41-23-18-19-24(30(38)32-21-23)33-31(39)29(40-4)28(37)27(36)25(34)20-17-22(2)3/h17,20,22-25,27-29,34,36-37H,5-16,18-19,21H2,1-4H3,(H,32,38)(H,33,39)/b20-17+/t23-,24+,25-,27+,28+,29+/m1/s1
SMILES CCCCCCCCCCCCCC(=O)OC1CCC(NC(=O)C(OC)C(O)C(O)C(O)/C=C/C(C)C)C(=O)NC1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Jaspia carteri Ref.
--Jaspis carteri Ref.
--Jaspis digonexea Ref.
--Pachastrissa sp. Ref.
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