Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009457
PROPERTIES
| NPAID | NPA009457 |
|---|---|
| CLUSTER ID | 58 |
| NODE ID | 54 |
| NAME | 19-[(1'S,4'R)-4'-hydroxy-1'-methoxy-2'-oxopentyl]-4,5-dihydrogeldanamycin |
| FORMULA | C35H52N2O12 |
| MOLECULAR WEIGHT (Da) | 692.8030 |
| ACCURATE MASS (Da) | 692.3520 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | hygroscopicus 17997 |
| InChIKey | IWXKDLKUMGGABM-JQUONGNRSA-N |
| InChI | InChI=1S/C35H52N2O12/c1-17-13-22-29(41)27(26(30(42)32(22)47-8)33(48-9)23(39)16-21(5)38)37-34(43)18(2)11-10-12-24(45-6)31(49-35(36)44)20(4)15-19(3)28(40)25(14-17)46-7/h11,15,17,19,21,24-25,28,31,33,38,40H,10,12-14,16H2,1-9H3,(H2,36,44)(H,37,43)/b18-11-,20-15-/t17-,19+,21-,24+,25+,28-,31+,33-/m1/s1 |
| SMILES | C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(\[C@@H]([C@H](CC/C=C(\C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)[C@@H](C(=O)C[C@@H](C)O)OC)/C)OC)OC(=O)N)/C)C)O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li, Shufen; Ni, Siyang; Wu, Linzhuan; Li, Li; Jiang, Bingya; Wang, Hongyuan; Sun, Guizhi; Gan, Maoluo; Li, Jingyan; He, Weiqing; Lin, Ling; Wang, Yiguang; Bai, Shuoke; Si, Shuyi 19-[(1′ S,4′ R)-4′-hydroxy-1′-methoxy-2′- oxopentyl]geldanamycin, a natural geldanamycin analogue from Streptomyces hygroscopicus 17997 Journal of Natural Products 2013 76 (5) 969-973. | ||
|---|---|---|---|
| DOI | 10.1021/np4000679 | PMID | 23656556 |
