Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577784 | Gold | 3 |
COMPOUND NPA000170
PROPERTIES
| NPAID | NPA000170 |
|---|---|
| CLUSTER ID | 142 |
| NODE ID | 135 |
| NAME | Not named |
| FORMULA | C56H85N9O15 |
| MOLECULAR WEIGHT (Da) | 1124.3440 |
| ACCURATE MASS (Da) | 1123.6165 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown-bacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | VKZXVDMHCBCMCO-UHFFFAOYSA-N |
| InChI | InChI=1S/C56H85N9O15/c1-12-33(7)45-54(77)65-28-18-22-39(65)50(73)59-44(31(3)4)53(76)62(10)40(24-26-43(69)70)56(79)80-47(34(8)13-2)51(74)58-36(29-35-19-15-14-16-20-35)52(75)64-27-17-21-38(64)48(71)57-30-41(66)63(11)46(32(5)6)55(78)61(9)37(49(72)60-45)23-25-42(67)68/h14-16,19-20,31-34,36-40,44-47H,12-13,17-18,21-30H2,1-11H3,(H,57,71)(H,58,74)(H,59,73)(H,60,72)(H,67,68)(H,69,70) |
| SMILES | CCC(C)C1C(=O)N2CCCC2C(=O)NC(C(=O)N(C(C(=O)OC(C(=O)NC(C(=O)N3CCCC3C(=O)NCC(=O)N(C(C(=O)N(C(C(=O)N1)CCC(=O)O)C)C(C)C)C)CC4=CC=CC=C4)C(C)CC)CCC(=O)O)C)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | HEGDE, VINOD R.; PUAR, MOHINDAR S.; DAI, PING; PU, HAIYAN; PATEL, MAHESH; ANTHES, JOHN C.; RICHARD, CHRISTIAN; TERRACCIANO, JOSEPH; DAS, PRADIP R.; GULLO, VINCENT A Family of Depsi-peptide Fungal Metabolites, as Selective and Competitive Human Tachykinin Receptor (NK2) Antagonists. Fermentation, Isolation, Physico-chemical Properties, and Biological Activity Journal of Antibiotics 2001 54 (2) 125-135. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.54.125 | PMID | 11302484 |
