Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015718
PROPERTIES
| NPAID | NPA015718 |
|---|---|
| CLUSTER ID | 1904 |
| NODE ID | 1533 |
| NAME | Bendigole F |
| FORMULA | C24H34O5 |
| MOLECULAR WEIGHT (Da) | 402.5310 |
| ACCURATE MASS (Da) | 402.2406 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Actinomadura |
| ORIGIN SPECIES | sp. SBMs009 |
| InChIKey | QKYFOPPSEWXMGR-DFQOQHGMSA-N |
| InChI | InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h8-10,13,16-20,22,26-27H,4-7,11-12H2,1-3H3,(H,28,29)/t13-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1 |
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](CC4=CC(=O)C=C[C@]34C)O)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Simmons, Luke; Kaufmann, Katrin; Garcia, Ronald; Schwär, Gertrud; Huch, Volker; Müller, Rolf Bendigoles D-F, bioactive sterols from the marine sponge-derived Actinomadura sp. SBMs009 Bioorganic and Medicinal Chemistry 2011 19 (22) 6570-6575. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmc.2011.05.044 | PMID | 21684166 |
