Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015313
PROPERTIES
| NPAID | NPA015313 |
|---|---|
| CLUSTER ID | 2259 |
| NODE ID | 1212 |
| NAME | 14-dehydrorubellin D |
| FORMULA | C30H20O10 |
| MOLECULAR WEIGHT (Da) | 540.4800 |
| ACCURATE MASS (Da) | 540.1056 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Ramularia |
| ORIGIN SPECIES | collo-cygni |
| InChIKey | ZWZYASXOHAGODF-UTSPDALJSA-N |
| InChI | InChI=1S/C30H20O10/c1-10-6-12-20(17(34)7-10)29(39)40-28(12)30-9-11-8-18(35)23-24(19(11)13(30)2-3-16(33)27(30)38)26(37)22-15(32)5-4-14(31)21(22)25(23)36/h2-8,13,27-28,31-32,34-35,38H,9H2,1H3/t13-,27-,28+,30-/m1/s1 |
| SMILES | CC1=CC(=C2C(=C1)[C@H](OC2=O)[C@]34CC5=CC(=C6C(=C5[C@H]3C=CC(=O)[C@H]4O)C(=O)C7=C(C=CC(=C7C6=O)O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Miethbauer, Sebastian; Haase, Susann; Schmidtke, Kai-Uwe; Guenther, Wolfgang; Heiser, Ingrid; Liebermann, Bernd Biosynthesis of photodynamically active rubellins and structure elucidation of new anthraquinone derivatives produced by Ramularia collo-cygni Phytochemistry 2006 67 (12) 1206-1213. | ||
|---|---|---|---|
| DOI | 10.1016/j.phytochem.2006.05.003 | PMID | 16780904 |
