Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006379
PROPERTIES
| NPAID | NPA006379 |
|---|---|
| CLUSTER ID | 1471 |
| NODE ID | 1212 |
| NAME | Rubellin E |
| FORMULA | C30H24O11 |
| MOLECULAR WEIGHT (Da) | 560.5110 |
| ACCURATE MASS (Da) | 560.1319 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Ramularia |
| ORIGIN SPECIES | collo-cygni |
| InChIKey | GMHYAMBYOJNKBN-PJQIVZKYSA-N |
| InChI | InChI=1S/C30H24O11/c1-10-6-12(20(29(40)41)17(34)7-10)27(38)30-9-11-8-18(35)23-24(19(11)13(30)2-3-16(33)28(30)39)26(37)22-15(32)5-4-14(31)21(22)25(23)36/h2-8,13,16,27-28,31-35,38-39H,9H2,1H3,(H,40,41)/t13-,16-,27+,28-,30+/m1/s1 |
| SMILES | CC1=CC(=C(C(=C1)O)C(=O)O)[C@@H]([C@]23CC4=CC(=C5C(=C4[C@H]2C=C[C@H]([C@H]3O)O)C(=O)C6=C(C=CC(=C6C5=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 |
