input word = C00050156

Metabolite InformationStructural formula
Name Massetolide B
Formula C56H99N9O16
Mw 1153.72097818
CAS RN 186409-58-5
C_ID C00050156 ,
InChIKey DTEBAJZTWHMPEF-PAPNBCRUNA-N
InChICode InChI=1S/C56H99N9O16/c1-13-16-17-18-19-20-21-36(68)27-43(69)57-38(24-30(4)5)49(73)58-37(22-23-44(70)71)48(72)65-47-35(12)81-56(80)46(34(11)15-3)64-53(77)42(29-67)62-50(74)39(25-31(6)7)59-52(76)41(28-66)61-51(75)40(26-32(8)9)60-54(78)45(33(10)14-2)63-55(47)79/h30-42,45-47,66-68H,13-29H2,1-12H3,(H,57,69)(H,58,73)(H,59,76)(H,60,78)(H,61,75)(H,62,74)(H,63,79)(H,64,77)(H,65,72)(H,70,71)/t33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,45+,46+,47+/m0/s1
SMILES C1(=O)[C@@H]([C@H](OC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](N1)[C@H](CC)C)CC(C)C)CO)CC(C)C)CO)[C@H](CC)C)C)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C[C@@H](CCCCCCCC)O
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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