Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021356
PROPERTIES
| NPAID | NPA021356 |
|---|---|
| CLUSTER ID | 1662 |
| NODE ID | 1358 |
| NAME | Demethylchromomycin A2 |
| FORMULA | C58H84O26 |
| MOLECULAR WEIGHT (Da) | 1197.2840 |
| ACCURATE MASS (Da) | 1196.5251 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | aburaviensis PA-39856 |
| InChIKey | AKTAFHXHDVVUJW-KKKIFPBDSA-N |
| InChI | InChI=1S/C58H84O26/c1-21(2)57(70)84-56-28(9)77-42(20-58(56,11)71)81-36-17-39(74-25(6)49(36)66)80-35-18-41(75-26(7)48(35)65)83-55-32(54(72-12)52(69)46(63)23(4)59)14-30-13-31-15-34(22(3)45(62)43(31)50(67)44(30)51(55)68)79-40-19-37(53(27(8)76-40)78-29(10)60)82-38-16-33(61)47(64)24(5)73-38/h13,15,21,23-28,32-33,35-42,46-49,53-56,59,61-67,71H,14,16-20H2,1-12H3/t23-,24+,25-,26+,27+,28-,32+,33+,35+,36-,37-,38-,39+,40-,41-,42+,46+,47-,48-,49+,53-,54+,55+,56-,58-/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)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 |
