Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA000737
PROPERTIES
NPAID | NPA000737 |
---|---|
CLUSTER ID | 529 |
NODE ID | 473 |
NAME | Duocarmycin C2 |
FORMULA | C26H26ClN3O8 |
MOLECULAR WEIGHT (Da) | 543.9600 |
ACCURATE MASS (Da) | 543.1408 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | sp. |
InChIKey | BOGFADYROAVVTF-UHFFFAOYSA-N |
InChI | InChI=1S/C26H26ClN3O8/c1-26(25(34)38-5)23(32)18-17-12(9-27)10-30(14(17)8-15(31)20(18)29-26)24(33)13-6-11-7-16(35-2)21(36-3)22(37-4)19(11)28-13/h6-8,12,28-29,31H,9-10H2,1-5H3 |
SMILES | CC1(C(=O)C2=C3C(CN(C3=CC(=C2N1)O)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)CCl)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 |