Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011154
PROPERTIES
| NPAID | NPA011154 |
|---|---|
| CLUSTER ID | 4356 |
| NODE ID | 163 |
| NAME | Seco-4,23-hydroxyoleane-12-en-22-one-3-carboxylic acid |
| FORMULA | C30H48O5 |
| MOLECULAR WEIGHT (Da) | 488.7090 |
| ACCURATE MASS (Da) | 488.3502 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | imperfecti |
| InChIKey | VYVQCQBUBKNGGO-NNKHYHIKSA-N |
| InChI | InChI=1S/C30H48O5/c1-25(2)16-20-19-8-9-21-27(4,12-11-24(33)34)22(30(7,35)18-31)10-13-29(21,6)28(19,5)15-14-26(20,3)23(32)17-25/h8,20-22,31,35H,9-18H2,1-7H3,(H,33,34)/t20-,21?,22?,26+,27+,28+,29+,30?/m0/s1 |
| SMILES | C[C@@]12CC[C@@]3(C(=CCC4[C@]3(CCC([C@]4(C)CCC(=O)O)C(C)(CO)O)C)[C@@H]1CC(CC2=O)(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | MAUL, CORINNA; SATTLER, ISABEL; ZERLIN, MARION; HINZE, CLAUDIA; KOCH, CORINNA; MAIER, ARMIN; GRABLEY, SUSANNE; THIERICKE, RALF Biomolecular-chemical Screening. A Novel Screening Approach for the Diseovery of Biologically Active Seeondary Metabolites. III. New DNA-binding Metabolites Journal of Antibiotics 1999 52 (12) 1124-1134. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.52.1124 | PMID | 10695676 |
