Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000574
PROPERTIES
| NPAID | NPA000574 |
|---|---|
| CLUSTER ID | 432 |
| NODE ID | 390 |
| NAME | Benanomicin B |
| FORMULA | C39H42N2O18 |
| MOLECULAR WEIGHT (Da) | 826.7610 |
| ACCURATE MASS (Da) | 826.2433 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Actinomyces |
| ORIGIN SPECIES | sp. MH193-16F4 |
| InChIKey | IHIIRQILYAXIOH-NUVDETJMSA-N |
| InChI | InChI=1S/C39H42N2O18/c1-10-5-17-23(30(48)20(10)36(52)41-11(2)37(53)54)22-15(8-16-24(31(22)49)27(45)14-6-13(55-4)7-18(42)21(14)26(16)44)28(46)34(17)58-39-33(51)35(25(40)12(3)57-39)59-38-32(50)29(47)19(43)9-56-38/h5-8,11-12,19,25,28-29,32-35,38-39,42-43,46-51H,9,40H2,1-4H3,(H,41,52)(H,53,54)/t11-,12-,19-,25+,28+,29+,32-,33-,34+,35+,38+,39+/m1/s1 |
| SMILES | C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=C(C4=C(C(=C(C=C24)C)C(=O)N[C@H](C)C(=O)O)O)C(=C5C(=C3)C(=O)C6=C(C=C(C=C6C5=O)OC)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Takeuchi, T; Hara, T; Naganawa, H; Okada, M; Hamada, M; Umezawa, H; Gomi, S; Sezaki, M; Kondo, S New antifungal antibiotics, benanomicins A and B from an actinomycete Journal of Antibiotics 1988 41 (6) 807-811. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.41.807 | PMID | 3403377 |
SYNTHESES
| CITATION 1 | Ohmori K; Tamiya M; Kitamura M; Kato H; Oorui M; Suzuki K Regio- and stereocontrolled total synthesis of benanomicin B. Angewandte Chemie International Edition 2005 44 (25) 3871-3874. DOI: 10.1002/anie.200501210 PMID: 15900522 | ||
|---|---|---|---|
