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CHEBI:199952 - Parmosidone D
| Formula | C27H22O12 |
| Net Charge | 0 |
| Average Mass | 538.461 |
| Monoisotopic Mass | 538.11113 |
| SMILES | COC(=O)c1c(O)cc(O)c(Cc2c(O)c(C(=O)O)c(C)c3c2Oc2c(C=O)c(O)cc(C)c2C(=O)O3)c1C |
| InChI | InChI=1S/C27H22O12/c1-9-5-15(29)14(8-28)23-18(9)27(36)39-22-11(3)20(25(33)34)21(32)13(24(22)38-23)6-12-10(2)19(26(35)37-4)17(31)7-16(12)30/h5,7-8,29-32H,6H2,1-4H3,(H,33,34) |
| InChIKey | UBBQXDJYJHMQIB-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Parmotrema (ncbitaxon:172634) | - | DOI (10.1016/j.tet.2015.06.107) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Parmosidone D (CHEBI:199952) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| 1-[(4,6-dihydroxy-3-methoxycarbonyl-2-methylphenyl)methyl]-10-ormyl-2,9-dihydroxy-4,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-3-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 78435931 | ChemSpider |