input word = C00028859

Metabolite InformationStructural formula
Name Prenylagaramide B
Formula C49H68N8O10
Mw 928.50584045
CAS RN 226894-88-8
C_ID C00028859 ,
InChIKey KCXFJZKOPZXTOR-JZTPYBMBNA-N
InChICode InChI=1S/C49H68N8O10/c1-7-29(5)41-46(63)52-36(26-31-13-17-33(58)18-14-31)48(65)57-23-10-12-39(57)45(62)55-42(30(6)8-2)47(64)53-37(27-40(50)59)49(66)56-22-9-11-38(56)44(61)51-35(43(60)54-41)25-32-15-19-34(20-16-32)67-24-21-28(3)4/h13-21,29-30,35-39,41-42,58H,7-12,22-27H2,1-6H3,(H2,50,59)(H,51,61)(H,52,63)(H,53,64)(H,54,60)(H,55,62)/t29-,30+,35+,36+,37+,38+,39+,41+,42-/m1/s1
SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCC=C(C)C)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)C([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Oscillatoria agardhii Ref.
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