Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002011
PROPERTIES
| NPAID | NPA002011 |
|---|---|
| CLUSTER ID | 1087 |
| NODE ID | 936 |
| NAME | 3′‐hydroxy‐β‐rubromycin |
| FORMULA | C27H20O13 |
| MOLECULAR WEIGHT (Da) | 552.4440 |
| ACCURATE MASS (Da) | 552.0904 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. A1 |
| InChIKey | ALEFWKBEHYAYBG-UHFFFAOYSA-N |
| InChI | InChI=1S/C27H20O13/c1-35-11-8-12(36-2)18(28)16-15(11)19(29)17-23(21(16)31)40-27(24(17)32)5-4-9-6-10-7-13(25(33)37-3)38-26(34)14(10)20(30)22(9)39-27/h6-8,24,28,30,32H,4-5H2,1-3H3 |
| SMILES | COC1=CC(=C(C2=C1C(=O)C3=C(C2=O)OC4(C3O)CCC5=C(O4)C(=C6C(=C5)C=C(OC6=O)C(=O)OC)O)O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Puder, Carsten; Loya, Shoshana; Hizi, Amnon; Zeeck, Axel Structural and Biosynthetic Investigations of the Rubromycins European Journal of Organic Chemistry 2000 2000 (5) 729-735. | ||
|---|---|---|---|
| DOI | 10.1002/(sici)1099-0690(200003)2000:5<729::aid-ejoc729>3.0.co;2-2 | PMID | - |
