Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577808 | Gold | 3 |
COMPOUND NPA016864
PROPERTIES
| NPAID | NPA016864 |
|---|---|
| CLUSTER ID | 142 |
| NODE ID | 135 |
| NAME | Sch-217048 |
| FORMULA | C57H88N10O14 |
| MOLECULAR WEIGHT (Da) | 1137.3870 |
| ACCURATE MASS (Da) | 1136.6481 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. |
| InChIKey | DJDJISZVDIETFI-UHFFFAOYSA-N |
| InChI | InChI=1S/C57H88N10O14/c1-12-34(7)46-55(78)67-28-18-17-22-40(67)51(74)61-45(32(3)4)54(77)64(10)41(25-27-44(70)71)57(80)81-48(35(8)13-2)52(75)60-37(30-36-20-15-14-16-21-36)53(76)66-29-19-23-39(66)49(72)59-31-43(69)65(11)47(33(5)6)56(79)63(9)38(50(73)62-46)24-26-42(58)68/h14-16,20-21,32-35,37-41,45-48H,12-13,17-19,22-31H2,1-11H3,(H2,58,68)(H,59,72)(H,60,75)(H,61,74)(H,62,73)(H,70,71) |
| SMILES | CCC(C)C1C(=O)N2CCCCC2C(=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)N)C)C(C)C)C)CC4=CC=CC=C4)C(C)CC)CCC(=O)O)C)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hegde, V. R.; Puar, M. S.; Chan, T. M.; Dai, P.; Das, P. R.; Patel, M. Sch 217048: A Novel Cyclodepsipeptide with Neurokinin Antagonist Activity Journal of Organic Chemistry 1998 63 (25) 9584-9586. | ||
|---|---|---|---|
| DOI | 10.1021/jo981467j | PMID | 18632487 |
