Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016736
PROPERTIES
| NPAID | NPA016736 |
|---|---|
| CLUSTER ID | 529 |
| NODE ID | 473 |
| NAME | Duocarmycin C1 |
| FORMULA | C26H26ClN3O8 |
| MOLECULAR WEIGHT (Da) | 543.9600 |
| ACCURATE MASS (Da) | 543.1408 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | ILRQRCTVPANBBE-UHFFFAOYSA-N |
| InChI | InChI=1S/C26H26ClN3O8/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 |
| SMILES | CC1(C(=O)C2=C3CC(CN(C3=CC(=C2N1)O)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)Cl)C(=O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yasuzawa, T; Iida, T; Muroi, K; Ichimura, M; Takahashi, K; Sano, H Structures of duocarmycins, novel antitumor antibiotics produced by Streptomyces sp Chemical and Pharmaceutical Bulletin 1988 36 (9) 3728-3731. | ||
|---|---|---|---|
| DOI | 10.1248/cpb.36.3728 | PMID | 3255306 |
