Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020692
PROPERTIES
| NPAID | NPA020692 |
|---|---|
| CLUSTER ID | 6501 |
| NODE ID | 141 |
| NAME | Janthinocin B |
| FORMULA | C57H82N12O16 |
| MOLECULAR WEIGHT (Da) | 1191.3510 |
| ACCURATE MASS (Da) | 1190.5972 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Janthinobacterium |
| ORIGIN SPECIES | lividum |
| InChIKey | MDODWZNDNCDVHR-OVARDYSGSA-N |
| InChI | InChI=1S/C57H82N12O16/c1-9-29(7)40(59)52(79)69-44-47(28(5)6)85-57(84)37(23-31-17-12-11-13-18-31)63-49(76)36(21-16-22-58)62-55(82)43(46(74)33-24-60-35-20-15-14-19-32(33)35)68-50(77)38(25-70)64-48(75)34(10-2)61-54(81)42(45(73)27(3)4)67-51(78)39(26-71)65-53(80)41(30(8)72)66-56(44)83/h10-15,17-20,24,27-30,36-42,44-45,47,60,70-74H,9,16,21-23,25-26,58-59H2,1-8H3,(H,61,81)(H,62,82)(H,63,76)(H,64,75)(H,65,80)(H,66,83)(H,67,78)(H,68,77)(H,69,79)/b34-10-,46-43+/t29-,30-,36-,37+,38+,39-,40-,41+,42+,44+,45-,47+/m0/s1 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H]1[C@H](OC(=O)[C@H](NC(=O)[C@@H](NC(=O)/C(=C(/C2=CNC3=CC=CC=C32)\O)/NC(=O)[C@H](NC(=O)/C(=C/C)/NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)[C@H](C)O)CO)[C@H](C(C)C)O)CO)CCCN)CC4=CC=CC=C4)C(C)C)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Johnson JH; Tymiak AA; Bolgar MS Janthinocins A, B and C, novel peptide lactone antibiotics produced by Janthinobacterium lividum. II. Structure elucidation Journal of Antibiotics 1990 43 (8) 920-930. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.43.920 | PMID | 2211359 |
