Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA029813
PROPERTIES
| NPAID | NPA029813 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | Kirschsteinin B |
| FORMULA | C27H24O10 |
| MOLECULAR WEIGHT (Da) | 508.4790 |
| ACCURATE MASS (Da) | 508.1369 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Pyrenochaetopsis |
| ORIGIN SPECIES | sp. (strain MSX63693) |
| InChIKey | AXEBHULHYWLJNM-UHFFFAOYSA-N |
| InChI | InChI=1S/C27H24O10/c1-6-11-15(35-3)7-13-21(23(11)30)26(33)19(27(34)24(13)31)10(2)18-16(36-4)8-12-20(25(18)32)14(28)9-17(37-5)22(12)29/h7-10,30,32-33H,6H2,1-5H3 |
| SMILES | CCC1=C(OC)C=C2C(=O)C(=O)C(C(C)C3=C(OC)C=C4C(=O)C(OC)=CC(=O)C4=C3O)=C(O)C2=C1O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bacon, Jeffrey W.; Burdette, Joanna E.; Flores-Bocanegra, Laura; Maldonado, Amanda C.; Oberlies, Nicholas H.; Pearce, Cedric J.; Raja, Huzefa A. Cytotoxic Naphthoquinone Analogues, including Heterodimers, and Their Structure Elucidation Using LR-HSQMBC NMR Experiments Journal of Natural Products 2020 None. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.0c00856 | PMID | 33006889 |
