Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000845629 | Gold | 1!CCMSLIB00000845631 |
| CCMSLIB00005722048 | Gold | 3 |
| CCMSLIB00005722049 | Gold | 3 |
| CCMSLIB00012132245 | Gold | 4 |
| CCMSLIB00009972042 | Gold | 4 |
COMPOUND NPA019881
PROPERTIES
| NPAID | NPA019881 |
|---|---|
| CLUSTER ID | 375 |
| NODE ID | 339 |
| NAME | Oxalicine B |
| FORMULA | C30H33NO7 |
| MOLECULAR WEIGHT (Da) | 519.5940 |
| ACCURATE MASS (Da) | 519.2257 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | thiersii |
| InChIKey | GADSICAILMLRQB-GVRUMSNVSA-N |
| InChI | InChI=1S/C30H33NO7/c1-17(2)29(35)12-11-27(4)22(28(29)10-9-23(32)36-16-28)8-7-18(3)30(27)25(33)24-21(38-30)14-20(37-26(24)34)19-6-5-13-31-15-19/h5-7,13-15,22,25,33,35H,1,8-12,16H2,2-4H3/t22-,25-,27+,28-,29+,30+/m0/s1 |
| SMILES | CC1=CC[C@H]2[C@]([C@]13[C@H](C4=C(O3)C=C(OC4=O)C5=CN=CC=C5)O)(CC[C@]([C@]26CCC(=O)OC6)(C(=C)C)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li, Chen; Gloer, James B.; Wicklow, Donald T.; Dowd, Patrick F. Antiinsectan decaturin and oxalicine analogues from Penicillium thiersii Journal of Natural Products 2005 68 (3) 319-322. | ||
|---|---|---|---|
| DOI | 10.1021/np0496486 | PMID | 15787428 |
