Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020632
PROPERTIES
| NPAID | NPA020632 |
|---|---|
| CLUSTER ID | 6480 |
| NODE ID | 4481 |
| NAME | MC-034 |
| FORMULA | C49H61ClO17 |
| MOLECULAR WEIGHT (Da) | 957.4630 |
| ACCURATE MASS (Da) | 956.3597 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. A7361 |
| InChIKey | GDKOCPOPNXYMKU-ITKXNXJMSA-N |
| InChI | InChI=1S/C49H61ClO17/c1-22-21-49-27(19-29(22)43(56)57)12-9-7-6-8-11-26-15-16-28-30(48(26,5)47(60)66-41(42(49)55)45(59)67-49)13-10-14-34(28)63-46-38(54)37(53)40(25(4)62-46)64-35-20-33(52)39(24(3)61-35)65-44(58)36-23(2)31(50)17-18-32(36)51/h9,12,15-19,22,24-28,30,33-35,37-40,46,51-55H,6-8,10-11,13-14,20-21H2,1-5H3,(H,56,57)/b12-9-/t22-,24-,25-,26-,27-,28+,30-,33-,34+,35+,37-,38?,39-,40-,46+,48-,49?/m1/s1 |
| SMILES | C[C@@H]1CC23[C@H](/C=C\CCCC[C@@H]4C=C[C@H]5[C@H]([C@@]4(C(=O)OC(=C2O)C(=O)O3)C)CCC[C@@H]5O[C@H]6C([C@H]([C@@H]([C@H](O6)C)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)OC(=O)C8=C(C=CC(=C8C)Cl)O)O)O)O)C=C1C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kawashima A; Nakamura Y; Ohta Y; Akama T; Yamagishi M; Hanada K NEW CHOLESTEROL BIOSYNTHESIS INHIBITORS MC-031 (O-DEMETHYLCHLOROTHRICIN), -032 (O-DEMETHYLHYDROXYCHLOROTHRICIN), -033 AND -034 Journal of Antibiotics 1992 45 (2) 207-212. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.45.207 | PMID | 1556012 |
