Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032848
PROPERTIES
| NPAID | NPA032848 |
|---|---|
| CLUSTER ID | 892 |
| NODE ID | 773 |
| NAME | Neomediomycin B |
| FORMULA | C69H109NO15 |
| MOLECULAR WEIGHT (Da) | 1192.6230 |
| ACCURATE MASS (Da) | 1191.7797 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | LGADTVLEZHICAH-OOPORQSLSA-N |
| InChI | InChI=1S/C69H109NO15/c1-51(42-43-68(83)84)29-20-16-12-8-6-9-13-17-21-31-53(3)69(85)55(5)66(81)41-23-19-15-11-7-10-14-18-22-40-65(80)54(4)67(82)50-64(79)49-62(77)38-27-36-60(75)47-58(73)34-25-33-57(72)46-59(74)35-26-37-61(76)48-63(78)45-52(2)30-24-32-56(71)39-28-44-70/h6-12,14-16,18-24,26-27,29-31,35,38,41-43,52-66,69,71-81,85H,13,17,25,28,32-34,36-37,39-40,44-50,70H2,1-5H3,(H,83,84)/t52-,53+,54-,55+,56+,57-,58+,59-,60-,61+,62-,63-,64-,65+,66-,69+/m1/s1 |
| SMILES | CC(C=CC(=O)O)=CC=CC=CC=CCCC=C[C@H](C)[C@H](O)[C@@H](C)[C@H](O)C=CC=CC=CC=CC=CC[C@H](O)[C@@H](C)C(=O)C[C@H](O)C[C@H](O)C=CC[C@@H](O)C[C@@H](O)CCC[C@@H](O)C[C@H](O)C=CC[C@H](O)C[C@H](O)C[C@H](C)C=CC[C@H](O)CCCN |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zhang, Lihan; Hashimoto, Takuya; Qin, Bin; Hashimoto, Junko; Kozone, Ikuko; Kawahara, Teppei; Okada, Masahiro; Awakawa, Takayoshi; Ito, Takuya; Asakawa, Yoshinori; Ueki, Masashi; Takahashi, Shunji; Osada, Hiroyuki; Wakimoto, Toshiyuki; Ikeda, Haruo; Shin-ya, Kazuo; Abe, Ikuro Characterization of Giant Modular PKSs Provides Insight into Genetic Mechanism for Structural Diversification of Aminopolyol Polyketides Angewandte Chemie International Edition 2017 56 (7) 1740-1745. | ||
|---|---|---|---|
| DOI | 10.1002/anie.201611371 | PMID | 28133950 |
