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CHEBI:197921 - Asteromine
| Formula | C34H30O14 |
| Net Charge | 0 |
| Average Mass | 662.600 |
| Monoisotopic Mass | 662.16356 |
| SMILES | COc1cc(O)c2c(OC)c3c(cc2c1-c1c(OC)cc(O)c2c(OC)c4c(cc12)CC(CC(=O)O)OC4=O)CC(CC(=O)O)OC3=O |
| InChI | InChI=1S/C34H30O14/c1-43-21-11-19(35)27-17(7-13-5-15(9-23(37)38)47-33(41)25(13)31(27)45-3)29(21)30-18-8-14-6-16(10-24(39)40)48-34(42)26(14)32(46-4)28(18)20(36)12-22(30)44-2/h7-8,11-12,15-16,35-36H,5-6,9-10H2,1-4H3,(H,37,38)(H,39,40) |
| InChIKey | RRCPHHKIKLBMFE-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mycosphaerella asteroma (ncbitaxon:133404) | - | DOI (10.1016/0031-9422(94)00620-9) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Asteromine (CHEBI:197921) is a organic heterotricyclic compound (CHEBI:26979) |
| Asteromine (CHEBI:197921) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| 2-[6-[3-(carboxymethyl)-9-hydroxy-7,10-dimethoxy-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl]-9-hydroxy-7,10-dimethoxy-1-oxo-3,4-dihydrobenzo[g]isochromen-3-yl]acetic acid |
| Manual Xrefs | Databases |
|---|---|
| 8614784 | ChemSpider |