input word = C00028238

Metabolite InformationStructural formula
Name Eleutherobin
Formula C35H48N2O10
Mw 656.33089577
CAS RN 174545-76-7
C_ID C00028238 ,
InChIKey XOPYFXBZMVTEJF-LJULUCSHNA-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)17-43-33-32(45-22(4)38)31(41)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 CO[C@]12C=CC(C)(O1)[C@@H](OC(=O)/C=C/c1cn(C)cn1)CC1C(C)=CC[C@H](C(C)C)C1/C=CCO[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
--Eleutherobia sp. Ref.
--Erythropodium caribaeorum Ref.
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