Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010272
PROPERTIES
| NPAID | NPA010272 |
|---|---|
| CLUSTER ID | 4137 |
| NODE ID | 3073 |
| NAME | Soyasaponine I |
| FORMULA | C48H78O18 |
| MOLECULAR WEIGHT (Da) | 943.1340 |
| ACCURATE MASS (Da) | 942.5188 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | imperfecti |
| InChIKey | HAQYPCUZKKYSEF-VBNZKLTDSA-N |
| InChI | InChI=1S/C48H78O18/c1-20-15-47(7)23(16-44(3,4)17-27(47)51)22-9-10-25-45(5)14-12-28(48(8,19-50)26(45)11-13-46(25,6)29(20)22)63-43-39(35(57)34(56)37(64-43)40(59)60)66-42-38(33(55)31(53)24(18-49)62-42)65-41-36(58)32(54)30(52)21(2)61-41/h9,20-21,23-39,41-43,49-58H,10-19H2,1-8H3,(H,59,60)/t20-,21?,23?,24?,25?,26?,27+,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,41?,42?,43?,45+,46+,47+,48+/m0/s1 |
| SMILES | C[C@H]1C[C@]2([C@@H](CC(CC2C3=CCC4[C@]5(CCC([C@](C5CC[C@]4(C13)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)C)O)O)O)C)(C)C)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | MAUL, CORINNA; SATTLER, ISABEL; ZERLIN, MARION; HINZE, CLAUDIA; KOCH, CORINNA; MAIER, ARMIN; GRABLEY, SUSANNE; THIERICKE, RALF Biomolecular-chemical Screening. A Novel Screening Approach for the Diseovery of Biologically Active Seeondary Metabolites. III. New DNA-binding Metabolites Journal of Antibiotics 1999 52 (12) 1124-1134. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.52.1124 | PMID | 10695676 |
