input word = C00034581

Metabolite InformationStructural formula
Name Lyngbyabellin E
(+)-Lyngbyabellin E
Formula C37H51Cl2N3O12S2
Mw 863.229121
CAS RN 873207-40-0
C_ID C00034581 ,
InChIKey YWMKIOVZHICLRR-VQNOJZTPNA-N
InChICode InChI=1S/C37H51Cl2N3O12S2/c1-9-12-27(44)42-29(19(3)10-2)25(51-21(5)43)15-28(45)52-26-16-50-34(47)22-17-56-32(41-22)30(36(6,7)49)54-33(46)20(4)24(13-11-14-37(8,38)39)53-35(48)23-18-55-31(26)40-23/h17-20,24-26,29-30,49H,9-16H2,1-8H3,(H,42,44)/t19-,20-,24-,25+,26+,29-,30+/m0/s1
SMILES c12nc(cs1)C(=O)O[C@H]([C@@H](C(=O)O[C@H](c1scc(C(=O)OC[C@H]2OC(=O)C[C@H]([C@H]([C@@H](C)CC)NC(=O)CCC)OC(=O)C)n1)C(O)(C)C)C)CCCC(Cl)(C)Cl
Start Substs in Alk. Biosynthesis (Prediction) L-Pro
Organism
Kingdom Family Species Reference
--Lyngbya majuscula Ref.
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OrganismLyngbya majuscula
ReferenceTan,Phytochem.,68,(2007),954