input word = C00038901

Metabolite InformationStructural formula
Name Cyclotheonamide C
Formula C36H43N9O8
Mw 729.32345942
CAS RN 170034-94-3
C_ID C00038901 ,
InChIKey HMUQNDMDPBLLAI-CXNZIMQDNA-N
InChICode InChI=1S/C36H43N9O8/c37-36(38)39-16-4-8-26-31(49)34(52)44-27(19-22-6-2-1-3-7-22)32(50)42-24(18-23-10-13-25(47)14-11-23)12-15-30(48)40-20-28(41-21-46)35(53)45-17-5-9-29(45)33(51)43-26/h1-3,6-7,10-15,18,21,26-29,47H,4-5,8-9,16-17,19-20H2,(H,40,48)(H,41,46)(H,42,50)(H,43,51)(H,44,52)(H4,37,38,39)/b15-12+,24-18+/t26-,27+,28+,29+/m0/s1
SMILES C\1(=C\c2ccc(cc2)O)/NC(=O)[C@H](NC(=O)C(=O)[C@@H](NC(=O)[C@@H]2N(C(=O)[C@@H](CNC(=O)/C=C1)NC=O)CCC2)CCCNC(=N)N)Cc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate L-Lys
Organism
Kingdom Family Species Reference
--Theonella swinhoei Ref.
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