Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005964
PROPERTIES
| NPAID | NPA005964 |
|---|---|
| CLUSTER ID | 1979 |
| NODE ID | 1589 |
| NAME | Crocadepsin B |
| FORMULA | C39H48ClN7O13 |
| MOLECULAR WEIGHT (Da) | 858.3020 |
| ACCURATE MASS (Da) | 857.2999 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Chondromyces |
| ORIGIN SPECIES | crocatus strain Cmc5 |
| InChIKey | ZAFQVYDSXSXWCJ-SWWGRJKYSA-N |
| InChI | InChI=1S/C39H48ClN7O13/c1-4-23(44-27(49)13-10-20-8-6-5-7-9-20)36(55)47-31-25(48)18-28(50)46-32(33(53)35(42)54)38(57)43-15-14-19(2)30(41)37(56)45-24(17-29(51)52)39(58)60-34(31)21-11-12-26(59-3)22(40)16-21/h4-13,16,19,24-25,30-34,48,53H,14-15,17-18,41H2,1-3H3,(H2,42,54)(H,43,57)(H,44,49)(H,45,56)(H,46,50)(H,47,55)(H,51,52)/b13-10+,23-4+/t19-,24-,25-,30-,31+,32-,33+,34+/m0/s1 |
| SMILES | C/C=C(\C(=O)N[C@@H]1[C@H](CC(=O)N[C@H](C(=O)NCC[C@@H]([C@@H](C(=O)N[C@H](C(=O)O[C@@H]1C2=CC(=C(C=C2)OC)Cl)CC(=O)O)N)C)[C@H](C(=O)N)O)O)/NC(=O)/C=C/C3=CC=CC=C3 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Surup F; Viehrig K; Rachid S; Plaza A; Maurer CK; Hartmann RW; Müller R Crocadepsins-Depsipeptides from the Myxobacterium Chondromyces crocatus Found by a Genome Mining Approach ACS Chemical Biology 2018 13 (1) 267-272. | ||
|---|---|---|---|
| DOI | 10.1021/acschembio.7b00900 | PMID | 29220569 |
