Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005727243 | Gold | 3 |
| CCMSLIB00005727850 | Gold | 3 |
| CCMSLIB00005727089 | Gold | 3 |
COMPOUND NPA004799
PROPERTIES
| NPAID | NPA004799 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Roquefortine H |
| FORMULA | C28H33N5O3 |
| MOLECULAR WEIGHT (Da) | 487.6040 |
| ACCURATE MASS (Da) | 487.2583 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | sp. F23-2 |
| InChIKey | IOMOQUZQAXSJJI-NPCLQBQOSA-N |
| InChI | InChI=1S/C28H33N5O3/c1-7-26(3,4)28-14-22-23(35)30-21(12-18-15-32(16-29-18)27(5,6)13-17(2)34)24(36)33(22)25(28)31-20-11-9-8-10-19(20)28/h7-12,15-16,22,25,31H,1,13-14H2,2-6H3,(H,30,35)/b21-12+/t22?,25-,28+/m0/s1 |
| SMILES | CC(=O)CC(C)(C)N1C=C(N=C1)/C=C/2\C(=O)N3[C@H]4[C@@](CC3C(=O)N2)(C5=CC=CC=C5N4)C(C)(C)C=C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Du, Lin; Feng, Teng; Zhao, Boyu; Li, Dehai; Cai, Shengxin; Zhu, Tianjiao; Wang, Fengping; Xiao, Xiang; Gu, Qianqun Alkaloids from a deep ocean sediment-derived fungus Penicillium sp. and their antitumor activities Journal of Antibiotics 2010 63 (4) 165-170. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2010.11 | PMID | 20186171 |
