input word = C00038902

Metabolite InformationStructural formula
Name Cyclotheonamide D
Formula C32H45N9O8
Mw 683.33910948
CAS RN 170129-80-3
C_ID C00038902 ,
InChIKey SVYQPGIZYPRTIN-FMIVXFBMNA-N
InChICode InChI=1S/C32H45N9O8/c1-18(2)26-29(47)38-20(15-19-7-10-21(43)11-8-19)9-12-25(44)36-16-23(37-17-42)31(49)41-14-4-6-24(41)28(46)39-22(27(45)30(48)40-26)5-3-13-35-32(33)34/h7-12,17-18,20,22-24,26,43H,3-6,13-16H2,1-2H3,(H,36,44)(H,37,42)(H,38,47)(H,39,46)(H,40,48)(H4,33,34,35)/b12-9+/t20-,22+,23+,24+,26+/m0/s1
SMILES [C@@H]1(NC(=O)[C@H](NC(=O)C(=O)[C@H](NC(=O)[C@@H]2N(C(=O)[C@@H](CNC(=O)/C=C/1)NC=O)CCC2)CCCNC(=N)N)C(C)C)Cc1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Theonella swinhoei Ref.
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OrganismTheonella swinhoei
ReferenceNakao,J.Nat.Prod.,70,(2007),689