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CHEBI:199374 - Neobulgarone C/D
| Formula | C32H25ClO8 |
| Net Charge | 0 |
| Average Mass | 572.997 |
| Monoisotopic Mass | 572.12380 |
| SMILES | COc1cc(C)cc2c1C(=O)c1c(O)cc(O)cc1C2C1c2cc(C)cc(OC)c2C(=O)c2c(O)cc(O)c(Cl)c21 |
| InChI | InChI=1S/C32H25ClO8/c1-12-5-15-23(17-9-14(34)10-18(35)24(17)31(38)25(15)21(7-12)40-3)27-16-6-13(2)8-22(41-4)26(16)32(39)28-19(36)11-20(37)30(33)29(27)28/h5-11,23,27,34-37H,1-4H3 |
| InChIKey | XTZHVTOVVQVQKP-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Neobulgaria pura (ncbitaxon:45434) | - | PubMed (11132957) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Neobulgarone C/D (CHEBI:199374) is a anthracenes (CHEBI:46955) |
| IUPAC Name |
|---|
| 4-chloro-10-(2,4-dihydroxy-5-methoxy-7-methyl-10-oxo-9H-anthracen-9-yl)-1,3-dihydroxy-8-methoxy-6-methyl-10H-anthracen-9-one |
| Manual Xrefs | Databases |
|---|---|
| 78435925 | ChemSpider |