Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011325
PROPERTIES
| NPAID | NPA011325 |
|---|---|
| CLUSTER ID | 2713 |
| NODE ID | 2105 |
| NAME | Sch 20562 |
| FORMULA | C63H96N12O21 |
| MOLECULAR WEIGHT (Da) | 1357.5240 |
| ACCURATE MASS (Da) | 1356.6813 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Aeromonas |
| ORIGIN SPECIES | sp. W-10 |
| InChIKey | JZKVLKBVTSOCID-NJJAETPXSA-N |
| InChI | InChI=1S/C63H96N12O21/c1-8-11-12-13-14-15-16-17-18-19-39(79)28-47(81)68-40(9-2)57(88)74-50-34(5)94-62(93)44(27-37-29-65-32-67-37)72-61(92)51(35(6)95-63-54(85)53(84)52(83)45(31-76)96-63)75(7)48(82)30-66-55(86)42(24-25-46(64)80)70-56(87)41(10-3)69-58(89)43(26-36-20-22-38(78)23-21-36)71-59(90)49(33(4)77)73-60(50)91/h9-10,20-23,29,32-35,39,42-45,49-54,63,76-79,83-85H,8,11-19,24-28,30-31H2,1-7H3,(H2,64,80)(H,65,67)(H,66,86)(H,68,81)(H,69,89)(H,70,87)(H,71,90)(H,72,92)(H,73,91)(H,74,88)/b40-9+,41-10+/t33-,34-,35+,39-,42-,43-,44+,45-,49-,50+,51+,52-,53+,54-,63+/m1/s1 |
| SMILES | CCCCCCCCCCC[C@H](CC(=O)N/C(=C/C)/C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)CNC(=O)[C@H](NC(=O)/C(=C\C)/NC(=O)[C@H](NC(=O)[C@H](NC1=O)[C@@H](C)O)CC2=CC=C(C=C2)O)CCC(=O)N)C)[C@H](C)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CC4=CN=CN4)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Afonso, Adriano; Hon, Frank; Brambilla, Ray Structure elucidation of Sch 20562, a glucosidic cyclic dehydropeptide lactone: The major component of W-10 antifungal antibiotic Journal of Antibiotics 1999 52 (4) 383-397. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.52.383 | PMID | 10395274 |
