Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004911
PROPERTIES
| NPAID | NPA004911 |
|---|---|
| CLUSTER ID | 528 |
| NODE ID | 472 |
| NAME | Duocarmycin B1 |
| FORMULA | C26H26BrN3O8 |
| MOLECULAR WEIGHT (Da) | 588.4110 |
| ACCURATE MASS (Da) | 587.0903 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | dO-89 |
| InChIKey | SUWUAMDOMCWKCL-GWQKEKGPSA-N |
| InChI | InChI=1S/C26H26BrN3O8/c1-26(25(34)38-5)23(32)18-13-8-12(27)10-30(15(13)9-16(31)20(18)29-26)24(33)14-6-11-7-17(35-2)21(36-3)22(37-4)19(11)28-14/h6-7,9,12,28-29,31H,8,10H2,1-5H3/t12-,26+/m0/s1 |
| SMILES | C[C@@]1(C(=O)C2=C3C[C@@H](CN(C3=CC(=C2N1)O)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)Br)C(=O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ogawa, T; Ichimura, M; Katsumata, S; Morimoto, M; Takahashi, K New antitumor antibiotics, duocarmycins B1 and B2 Journal of Antibiotics 1989 42 (8) 1299-1301. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.42.1299 | PMID | 2759911 |
