Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007790
PROPERTIES
| NPAID | NPA007790 |
|---|---|
| CLUSTER ID | 36 |
| NODE ID | 35 |
| NAME | Actinotetraose K |
| FORMULA | C50H74O26 |
| MOLECULAR WEIGHT (Da) | 1091.1160 |
| ACCURATE MASS (Da) | 1090.4468 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Amycolatopsis |
| ORIGIN SPECIES | sp. HCa1 |
| InChIKey | LRNGEJFMROVYOC-NUCVMEDXSA-N |
| InChI | InChI=1S/C50H74O26/c1-11-21(7)42(60)65-19-28-30(53)32(55)40(74-47-35(58)34(57)37(26(17-51)67-47)71-44(62)23(9)13-3)49(69-28)76-50-41(33(56)31(54)29(70-50)20-66-43(61)22(8)12-2)75-48-36(59)39(73-45(63)24(10)14-4)38(27(18-52)68-48)72-46(64)25(15-5)16-6/h11-15,26-41,47-59H,16-20H2,1-10H3/b21-11+,22-12+,23-13+,24-14+,25-15+/t26-,27-,28-,29-,30-,31-,32+,33+,34-,35-,36-,37-,38-,39-,40-,41-,47+,48+,49-,50-/m1/s1 |
| SMILES | CC/C(=C\C)/C(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)/C(=C/C)/C)O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)/C(=C/C)/C)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)OC(=O)/C(=C/C)/C)O)O)COC(=O)/C(=C/C)/C)O)O)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Guo, Zhi-Kai; Jiao, Rui-Hua; Dai, Hao-Fu; Mei, Wen-Li; Tan, Ren-Xiang; Ge, Hui-Ming Actinotetraoses I-K: Tetrasaccharide metabolites produced by an insect-derived actinobacteria, Amycolatopsis sp. HCa1 Chemistry and Biodiversity 2013 10 (2) 296-302. | ||
|---|---|---|---|
| DOI | 10.1002/cbdv.201200224 | PMID | 23418177 |
