Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001504
PROPERTIES
| NPAID | NPA001504 |
|---|---|
| CLUSTER ID | 545 |
| NODE ID | 487 |
| NAME | PGL K8 |
| FORMULA | C53H90O18 |
| MOLECULAR WEIGHT (Da) | 1015.2850 |
| ACCURATE MASS (Da) | 1014.6127 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Mycobacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | NHXHDQFTVZUNTA-IHDDPFCSSA-N |
| InChI | InChI=1S/C53H90O18/c1-14-19-30(5)49(58)67-37(22-18-17-21-29(4)39(16-3)60-10)28-38(68-50(59)31(6)20-15-2)27-35-23-25-36(26-24-35)69-52-47(62-12)44(41(55)33(8)65-52)71-53-48(63-13)45(42(56)34(9)66-53)70-51-46(61-11)43(57)40(54)32(7)64-51/h23-26,29-34,37-48,51-57H,14-22,27-28H2,1-13H3/t29?,30?,31?,32?,33?,34?,37?,38?,39?,40-,41+,42+,43?,44?,45?,46?,47?,48?,51+,52+,53+/m0/s1 |
| SMILES | CCCC(C)C(=O)OC(CCCCC(C)C(CC)OC)CC(CC1=CC=C(C=C1)O[C@@H]2C(C([C@@H](C(O2)C)O)O[C@@H]3C(C([C@@H](C(O3)C)O)O[C@@H]4C(C([C@H](C(O4)C)O)O)OC)OC)OC)OC(=O)C(C)CCC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Watanabe, Motoko; Aoyagi, Yutaka; Ohta, Akihiro; Minnikin, David E. Structures of Phenolic Glycolipids from Mycobacterium Kansasii European Journal of Biochemistry 1997 248 (1) 93-98. | ||
|---|---|---|---|
| DOI | 10.1111/j.1432-1033.1997.00093.x | PMID | 9310365 |
