input word = C00028398

Metabolite InformationStructural formula
Name Isoeleutherobin A
Formula C35H48N2O10
Mw 656.33089577
CAS RN 259728-67-1
C_ID C00028398 ,
InChIKey DWOIXRLFJBZDSB-KUFRULHANA-N
InChICode InChI=1S/C35H48N2O10/c1-20(2)25-10-8-21(3)26-15-29(46-30(40)11-9-24-16-37(6)19-36-24)34(5)12-13-35(42-7,47-34)23(14-27(25)26)17-43-33-31(41)32(45-22(4)38)28(39)18-44-33/h8-9,11-14,16,19-20,25-29,31-33,39,41H,10,15,17-18H2,1-7H3/b11-9+,23-14-/t25-,26+,27+,28+,29+,31+,32-,33+,34+,35-/m1/s1
SMILES [C@H]1(OC(=O)/C=C/c2ncn(c2)C)C[C@@H]2[C@H]([C@H](CC=C2C)C(C)C)/C=C(\[C@]2(C=C[C@@]1(O2)C)OC)/CO[C@H]1OC[C@@H]([C@H]([C@@H]1O)OC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
--Erythropodium caribaeorum Ref.
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