Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016591
PROPERTIES
| NPAID | NPA016591 |
|---|---|
| CLUSTER ID | 5656 |
| NODE ID | 4006 |
| NAME | Sterolic acid |
| FORMULA | C28H36O7 |
| MOLECULAR WEIGHT (Da) | 484.5890 |
| ACCURATE MASS (Da) | 484.2461 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | sp. |
| InChIKey | WQTCLVQYDLVATO-GRTLLFEISA-N |
| InChI | InChI=1S/C28H36O7/c1-13(15(3)24(31)32)5-6-14(2)16-7-8-17-18-11-19(29)28-22(35-28)20(30)21-23(34-21)25(28,4)27(18)10-9-26(16,17)12-33-27/h5-6,11,13-17,20-23,30H,7-10,12H2,1-4H3,(H,31,32)/b6-5+/t13-,14+,15-,16+,17-,20+,21-,22+,23-,25+,26-,27-,28+/m0/s1 |
| SMILES | C[C@H](/C=C/[C@H](C)[C@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@]13CC[C@@]4(C2=CC(=O)[C@]56[C@@]4([C@@H]7[C@@H](O7)[C@H]([C@H]5O6)O)C)OC3 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li, Yan; Ye, Dezan; Shao, Zongze; Cui, Chengbin; Che, Yongsheng A Sterol and Spiroditerpenoids from a Penicillium sp. Isolated from a Deep Sea Sediment Sample Marine Drugs 2012 10 (12) 497-508. | ||
|---|---|---|---|
| DOI | 10.3390/md10020497 | PMID | 22412815 |
