Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007789
PROPERTIES
| NPAID | NPA007789 |
|---|---|
| CLUSTER ID | 338 |
| NODE ID | 306 |
| NAME | GTRI-BB |
| FORMULA | C33H26O13 |
| MOLECULAR WEIGHT (Da) | 630.5580 |
| ACCURATE MASS (Da) | 630.1373 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Micromonospora |
| ORIGIN SPECIES | sp. SA-246 |
| InChIKey | HODQAOCEAGGJKA-VCIWARJVSA-N |
| InChI | InChI=1S/C33H26O13/c1-10-22-26(30(40)18(44-10)8-20(36)43-3)31(41)24-14(28(22)38)4-12(6-16(24)34)13-5-15-25(17(35)7-13)32(42)27-23(29(15)39)11(2)45-19-9-21(37)46-33(19)27/h4-7,10-11,18-19,30,33-35,40H,8-9H2,1-3H3/t10-,11-,18-,19-,30+,33?/m0/s1 |
| SMILES | C[C@H]1C2=C(C3[C@@H](O1)CC(=O)O3)C(=O)C4=C(C2=O)C=C(C=C4O)C5=CC6=C(C(=C5)O)C(=O)C7=C(C6=O)[C@@H](O[C@H]([C@H]7O)CC(=O)OC)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | YEO, WOON-HYUNG; YUN, BONG-SIK; KIM, YOUNG-SOOK; YU, SEUNG HUN; KIM, HWAN-MOOK; YOO, ICK-DONG; KIM, YOUNG HO GTRI-BB,a New Cytotoxic Isochromanquinone Produced by Micromonospora sp. SA-246 Journal of Antibiotics 2002 55 (5) 511-515. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.55.511 | PMID | 12139021 |
