Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021355
PROPERTIES
| NPAID | NPA021355 |
|---|---|
| CLUSTER ID | 1662 |
| NODE ID | 1358 |
| NAME | Demethylchromomycin A3 |
| FORMULA | C56H80O26 |
| MOLECULAR WEIGHT (Da) | 1169.2300 |
| ACCURATE MASS (Da) | 1168.4938 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | aburaviensis PA-39856 |
| InChIKey | LKAAYCHLHTYRFV-YTCZUGOVSA-N |
| InChI | InChI=1S/C56H80O26/c1-20-33(78-39-18-36(52(25(6)74-39)76-27(8)58)81-37-15-32(60)46(63)22(3)71-37)14-30-12-29-13-31(53(70-11)51(68)45(62)21(2)57)54(50(67)43(29)49(66)42(30)44(20)61)82-40-17-34(47(64)24(5)73-40)79-38-16-35(48(65)23(4)72-38)80-41-19-56(10,69)55(26(7)75-41)77-28(9)59/h12,14,21-26,31-32,34-41,45-48,52-55,57,60-66,69H,13,15-19H2,1-11H3/t21-,22+,23-,24+,25+,26-,31-,32+,34+,35-,36+,37-,38+,39-,40+,41-,45-,46+,47-,48+,52-,53+,54-,55-,56-/m1/s1 |
| SMILES | C[C@H]1[C@@H]([C@H](C[C@H](O1)O[C@H]2C[C@H](O[C@H]([C@H]2OC(=O)C)C)OC3=CC4=CC5=C(C(=O)[C@@H]([C@H](C5)[C@@H](C(=O)[C@@H]([C@@H](C)O)O)OC)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O)O[C@H]7C[C@H]([C@H]([C@H](O7)C)O)O[C@@H]8C[C@@]([C@@H]([C@H](O8)C)OC(=O)C)(C)O)C(=C4C(=C3C)O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Koenuma M; Uchida N; Yamaguchi K; Kawamura Y; Matsumoto K New aureolic acid antibiotics. I. Screening, isolation, characterization and biological properties. Journal of Antibiotics 1988 41 (1) 45-52. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.41.45 | PMID | 3346192 |
