Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA031323
PROPERTIES
| NPAID | NPA031323 |
|---|---|
| CLUSTER ID | 9119 |
| NODE ID | 2203 |
| NAME | Benthocyanin C |
| FORMULA | C31H29N3O3 |
| MOLECULAR WEIGHT (Da) | 491.5910 |
| ACCURATE MASS (Da) | 491.2209 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | prunicolor |
| InChIKey | ANKGDXCFUIDTSP-BUUFFXLRSA-N |
| InChI | InChI=1S/C31H29N3O3/c1-20(2)10-9-11-21(3)16-17-34-26-15-8-7-14-25(26)33-29-27(34)18-23(30(35)28(29)31(36)37)24(19-32)22-12-5-4-6-13-22/h4-8,10,12-16,18,35H,9,11,17H2,1-3H3,(H,36,37)/b21-16+,24-23+ |
| SMILES | CC(C)=CCC/C(C)=C/CN1C2=CC=CC=C2N=C2C1=C/C(=C(/C#N)C1=CC=CC=C1)C(O)=C2C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kazuo Shinya, Kazuo Furihata, Yoshihiro Teshima, Yoichi Hayakawa, and Haruo Seto Benthocyanins B and C, new free radical scavengers from Streptomyces prunicolor. Journal of Organic Chemistry 1993 58 (15) 4170-4172. | ||
|---|---|---|---|
| DOI | 10.1021/jo00067a069 | PMID | - |
