Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000080539 | Gold | "MLS000863642-01![1-[3-(3-hydroxy-2,2-dimethyl-1,2'-dioxospiro[3aH-imidazo[1,2-a]indole-4,5'-oxolane]-3'-yl)-4-oxoquinazolin-2-yl]-2-methylpropyl]&acetate" |
COMPOUND NPA015403
PROPERTIES
| NPAID | NPA015403 |
|---|---|
| CLUSTER ID | 394 |
| NODE ID | 11 |
| NAME | Tryptoquivaline |
| FORMULA | C29H30N4O7 |
| MOLECULAR WEIGHT (Da) | 546.5800 |
| ACCURATE MASS (Da) | 546.2114 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | clavatus |
| InChIKey | CYNVLFGDEQQUPE-LDWWEUSWSA-N |
| InChI | InChI=1S/C29H30N4O7/c1-15(2)22(39-16(3)34)23-30-19-12-8-6-10-17(19)24(35)31(23)21-14-29(40-25(21)36)18-11-7-9-13-20(18)32-26(29)33(38)28(4,5)27(32)37/h6-13,15,21-22,26,38H,14H2,1-5H3/t21-,22+,26+,29+/m1/s1 |
| SMILES | CC(C)[C@@H](C1=NC2=CC=CC=C2C(=O)N1[C@@H]3C[C@]4([C@H]5N(C6=CC=CC=C64)C(=O)C(N5O)(C)C)OC3=O)OC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Clardy, J; Springer, J P; Buchi, G; Matsuo, K; Wightman, R Letter: Tryptoquivaline and tryptoquivalone, two tremorgenic metabolites of aspergillus clavatus Journal of the American Chemical Society 1975 97 (3) 663-665. | ||
|---|---|---|---|
| DOI | 10.1021/ja00836a045 | PMID | 1133368 |
