Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000116
PROPERTIES
| NPAID | NPA000116 |
|---|---|
| CLUSTER ID | 99 |
| NODE ID | 94 |
| NAME | Carzinophilin |
| FORMULA | C31H33N3O12 |
| MOLECULAR WEIGHT (Da) | 639.6140 |
| ACCURATE MASS (Da) | 639.2064 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sahachiroi |
| InChIKey | GNGRYODSYNVRFD-UHFFFAOYSA-N |
| InChI | InChI=1S/C31H33N3O12/c1-14-7-6-8-18-19(14)9-17(43-5)10-20(18)26(40)32-13-30(4)24(39)28(41)45-31(46-30)25(23(38)22-11-34(22)16(3)37)44-27(33-29(31)42)21(12-35)15(2)36/h6-10,12,22-25,38-39H,11,13H2,1-5H3,(H,32,40)(H,33,42) |
| SMILES | CC1=CC=CC2=C(C=C(C=C12)OC)C(=O)NCC3(C(C(=O)OC4(O3)C(OC(=C(C=O)C(=O)C)NC4=O)C(C5CN5C(=O)C)O)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Onda; Konda; Hatano; Hata; Omura STRUCTURE OF CARZINOPHILIN. 31 STRUCTURE ELUCIDATION BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY. 1 Journal of the American Chemical Society 1983 105 (20) 6311-6312. | ||
|---|---|---|---|
| DOI | 10.1021/ja00358a022 | PMID | - |
