Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009729
PROPERTIES
| NPAID | NPA009729 |
|---|---|
| CLUSTER ID | 814 |
| NODE ID | 707 |
| NAME | Naquihexcin A |
| FORMULA | C39H40O18S |
| MOLECULAR WEIGHT (Da) | 828.7980 |
| ACCURATE MASS (Da) | 828.1935 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. HDN-10-293 |
| InChIKey | TUFQKXHDMLHEAD-KMWCMRFGSA-N |
| InChI | InChI=1S/C39H40O18S/c1-16-38(51)32(47)27-20(6-4-8-22(27)40)30(45)36(38,14-18(55-16)10-11-54-35-29(44)24(42)13-25(57-35)34(49)50)58-37-15-19(12-26(43)53-3)56-17(2)39(37,52)33(48)28-21(31(37)46)7-5-9-23(28)41/h4-9,13,16-19,24,29,35,40-42,44,51-52H,10-12,14-15H2,1-3H3,(H,49,50)/t16-,17-,18-,19-,24+,29-,35-,36+,37+,38+,39+/m0/s1 |
| SMILES | C[C@H]1[C@]2(C(=O)C3=C(C=CC=C3O)C(=O)[C@@]2(C[C@@H](O1)CCO[C@@H]4[C@H]([C@@H](C=C(O4)C(=O)O)O)O)S[C@@]56C[C@@H](O[C@H]([C@]5(C(=O)C7=C(C6=O)C=CC=C7O)O)C)CC(=O)OC)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Che, Qian; Tan, Hongsheng; Han, Xiaoning; Zhang, Xiaomin; Gu, Qianqun; Zhu, Tianjiao; Li, Dehai Naquihexcin A, a S-Bridged Pyranonaphthoquinone Dimer Bearing an Unsaturated Hexuronic Acid Moiety from a Sponge-Derived Streptomyces sp. HDN-10-293 Organic Letters 2016 18 (14) 3358-3361. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.6b01485 | PMID | 27341525 |
