Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019447
PROPERTIES
| NPAID | NPA019447 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Scleramide |
| FORMULA | C38H45N7O7 |
| MOLECULAR WEIGHT (Da) | 711.8200 |
| ACCURATE MASS (Da) | 711.3380 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | sclerotiorum NRRL 5167 |
| InChIKey | UTVCBQCZOQNCAY-ORYMTKCHSA-N |
| InChI | InChI=1S/C38H45N7O7/c1-44-30(21-26-14-8-4-9-15-26)35(49)41-24-34(48)43-29(20-25-12-6-3-7-13-25)38(52)45(2)31(22-27-16-10-5-11-17-27)36(50)40-23-33(47)42-28(37(44)51)18-19-32(39)46/h3-17,28-31H,18-24H2,1-2H3,(H2,39,46)(H,40,50)(H,41,49)(H,42,47)(H,43,48)/t28-,29-,30-,31-/m0/s1 |
| SMILES | CN1[C@H](C(=O)NCC(=O)N[C@H](C(=O)N([C@H](C(=O)NCC(=O)N[C@H](C1=O)CCC(=O)N)CC2=CC=CC=C2)C)CC3=CC=CC=C3)CC4=CC=CC=C4 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Whyte, Authrine C.; Joshi, Biren K.; Gloer, James B.; Wicklow, Donald T.; Dowd, Patrick F. New cyclic peptide and bisindolyl benzenoid metabolites from the sclerotia of Aspergillus sclerotiorum Journal of Natural Products 2000 63 (7) 1006-1009. | ||
|---|---|---|---|
| DOI | 10.1021/np000103v | PMID | 10924188 |
