Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005727329 | Gold | 3 |
| CCMSLIB00005727605 | Gold | 3 |
| CCMSLIB00005727919 | Gold | 3 |
| CCMSLIB00005727456 | Gold | 3 |
| CCMSLIB00005727404 | Gold | 3 |
COMPOUND NPA023871
PROPERTIES
| NPAID | NPA023871 |
|---|---|
| CLUSTER ID | 542 |
| NODE ID | 484 |
| NAME | Scequinadoline A |
| FORMULA | C27H29N5O4 |
| MOLECULAR WEIGHT (Da) | 487.5600 |
| ACCURATE MASS (Da) | 487.2220 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Scedosporium |
| ORIGIN SPECIES | apiospermum F41-1 |
| InChIKey | VHQZIMAMLQIPDR-MYLOTTRVSA-N |
| InChI | InChI=1S/C27H29N5O4/c1-14(2)20-21-28-17-11-7-5-9-15(17)23(34)31(21)19(22(33)29-20)13-27(36)16-10-6-8-12-18(16)32-24(27)30-26(3,4)25(32)35/h5-12,14,19-20,24,30,36H,13H2,1-4H3,(H,29,33)/t19-,20+,24+,27-/m1/s1 |
| SMILES | CC(C)[C@H]1C2=NC3=CC=CC=C3C(=O)N2[C@@H](C(=O)N1)C[C@@]4([C@H]5NC(C(=O)N5C6=CC=CC=C64)(C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Huang, Li-Hong; Xu, Meng-Yang; Li, Hou-Jin; Li, Jin-Qian; Chen, Yan-Xiu; Ma, Wen-Zhe; Li, Yi-Ping; Xu, Jun; Yang, De-Po; Lan, Wen-Jian Amino Acid-Directed Strategy for Inducing the Marine-Derived Fungus Scedosporium apiospermum F41-1 to Maximize Alkaloid Diversity Organic Letters 2017 19 (18) 4888-4891. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.7b02238 | PMID | 28837349 |
