input word = C00050162

Metabolite InformationStructural formula
Name Massetolide H
Formula C56H99N9O16
Mw 1153.72097818
CAS RN 186409-66-5
C_ID C00050162 ,
InChIKey DQUZAADVFQDHKJ-PPPRRYCTNA-N
InChICode InChI=1S/C56H99N9O16/c1-13-14-15-16-17-18-19-20-36(68)27-44(69)57-38(23-30(2)3)49(73)58-37(21-22-45(70)71)48(72)65-47-35(12)81-56(80)41(26-33(8)9)61-53(77)43(29-67)63-50(74)39(24-31(4)5)59-52(76)42(28-66)62-51(75)40(25-32(6)7)60-54(78)46(34(10)11)64-55(47)79/h30-43,46-47,66-68H,13-29H2,1-12H3,(H,57,69)(H,58,73)(H,59,76)(H,60,78)(H,61,77)(H,62,75)(H,63,74)(H,64,79)(H,65,72)(H,70,71)/t35-,36-,37-,38+,39+,40+,41+,42-,43-,46-,47-/m1/s1
SMILES C1(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H]([C@H](OC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](N1)CO)CC(C)C)CO)CC(C)C)C)NC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[C@@H](CCCCCCCCC)O)CCC(=O)O)C(C)C)CC(C)C
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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