Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018489
PROPERTIES
| NPAID | NPA018489 |
|---|---|
| CLUSTER ID | 171 |
| NODE ID | 160 |
| NAME | Officimalonic acid C |
| FORMULA | C34H48O9 |
| MOLECULAR WEIGHT (Da) | 600.7490 |
| ACCURATE MASS (Da) | 600.3298 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Fomes |
| ORIGIN SPECIES | officinalis |
| InChIKey | JVTKEEUUSBPFFJ-NGPOTDMGSA-N |
| InChI | InChI=1S/C34H48O9/c1-17-15-34(19(3)18(2)29(40)43-34)41-16-33-20(17)8-11-32(33,7)28-21(12-24(33)36)31(6)10-9-25(42-27(39)14-26(37)38)30(4,5)23(31)13-22(28)35/h17-20,23-25,36H,8-16H2,1-7H3,(H,37,38)/t17-,18+,19+,20-,23+,24-,25-,31-,32+,33+,34+/m1/s1 |
| SMILES | C[C@@H]1C[C@]2([C@H]([C@@H](C(=O)O2)C)C)OC[C@@]34[C@@H]1CC[C@]3(C5=C(C[C@H]4O)[C@]6(CC[C@H](C([C@@H]6CC5=O)(C)C)OC(=O)CC(=O)O)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Han, Jianxin; Li, Liya; Zhong, Jialiang; Tohtaton, Zeynep; Ren, Qing; Han, Li; Huang, Xueshi; Yuan, Tao Officimalonic acids A-H, lanostane triterpenes from the fruiting bodies of Fomes officinalis Phytochemistry 2016 130 193-200. | ||
|---|---|---|---|
| DOI | 10.1016/j.phytochem.2016.05.004 | PMID | 27216472 |
