input word = C00050161

Metabolite InformationStructural formula
Name Massetolide G
Formula C55H97N9O16
Mw 1139.70532812
CAS RN 186409-65-4
C_ID C00050161 ,
InChIKey MVGLWACDWUAYTI-ITUGIICENA-N
InChICode InChI=1S/C55H97N9O16/c1-13-14-15-16-17-18-19-35(67)26-43(68)56-37(22-29(2)3)48(72)57-36(20-21-44(69)70)47(71)64-46-34(12)80-55(79)40(25-32(8)9)60-52(76)42(28-66)62-49(73)38(23-30(4)5)58-51(75)41(27-65)61-50(74)39(24-31(6)7)59-53(77)45(33(10)11)63-54(46)78/h29-42,45-46,65-67H,13-28H2,1-12H3,(H,56,68)(H,57,72)(H,58,75)(H,59,77)(H,60,76)(H,61,74)(H,62,73)(H,63,78)(H,64,71)(H,69,70)/t34-,35-,36-,37+,38+,39+,40+,41-,42-,45-,46-/m1/s1
SMILES CCCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H]1C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)O[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaPseudomonadaceaePseudomonas sp. Ref.
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OrganismPseudomonas sp.
ReferenceGerard,J.Nat.Prod.,60,(1997),223