Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005978
PROPERTIES
| NPAID | NPA005978 |
|---|---|
| CLUSTER ID | 2858 |
| NODE ID | 2203 |
| NAME | Benthocyanin A |
| FORMULA | C31H28N2O4 |
| MOLECULAR WEIGHT (Da) | 492.5750 |
| ACCURATE MASS (Da) | 492.2049 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | prunicolor |
| InChIKey | KRDKFSFTOURVBO-UHFFFAOYSA-N |
| InChI | InChI=1S/C31H28N2O4/c1-19(2)9-7-10-20(3)15-16-33-25-14-8-13-22(30(34)35)29(25)32-24-18-27-23(17-26(24)33)28(31(36)37-27)21-11-5-4-6-12-21/h4-6,8-9,11-15,17-18H,7,10,16H2,1-3H3,(H,34,35) |
| SMILES | CC(=CCCC(=CCN1C2=CC=CC(=C2N=C3C1=CC4=C(C(=O)OC4=C3)C5=CC=CC=C5)C(=O)O)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shin-ya; Furihata; Hayakawa; Seto The structure of benthocyanin A. A new free radical scavenger of microbial origin Tetrahedron Letters 1991 32 (7) 943-946. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(00)92126-9 | PMID | - |
