input word = C00028866

Metabolite InformationStructural formula
Name Pseudocyclotheonamide B2
Pseudotheonamide B2
Formula C37H45N9O8
Mw 743.33910948
CAS RN 224577-34-8
C_ID C00028866 ,
InChIKey FJXRGKNIIBTSSQ-UHFFFAOYNA-N
InChICode InChI=1S/C37H45N9O8/c38-36-42-35(53)37(54)30(9-5-15-46(36)37)41-32(50)27-8-4-14-44(27)34(52)26(39-20-47)19-43-21-45-28(18-31(43)49)25(16-23-10-12-24(48)13-11-23)40-33(51)29(45)17-22-6-2-1-3-7-22/h1-3,6-7,10-13,20,25-30,48,54H,4-5,8-9,14-19,21H2,(H,39,47)(H,40,51)(H,41,50)(H2,38,42,53)/t25-,26-,27-,28+,29+,30-,37+/m0/s1
SMILES C1CC[C@H](N1C(=O)[C@H](CN1CN2[C@@H]([C@@H](NC(=O)[C@H]2Cc2ccccc2)Cc2ccc(cc2)O)CC1=O)NC=O)C(=O)N[C@H]1CCCN2[C@@]1(C(=O)N=C2N)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Asp
Organism
Kingdom Family Species Reference
--Theonella swinhoei Ref.
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