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CHEBI:217088 - Lactothamnolic acid
| Formula | C19H14O11 |
| Net Charge | 0 |
| Average Mass | 418.310 |
| Monoisotopic Mass | 418.05361 |
| SMILES | COc1cc(C)c(C(=O)Oc2c(O)c(C=O)c(O)c3c2COC3=O)c(O)c1C(=O)O |
| InChI | InChI=1S/C19H14O11/c1-6-3-9(28-2)12(17(24)25)15(23)10(6)19(27)30-16-8-5-29-18(26)11(8)13(21)7(4-20)14(16)22/h3-4,21-23H,5H2,1-2H3,(H,24,25) |
| InChIKey | ITQXVPRAMWEUFB-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Siphula (ncbitaxon:50927) | - | DOI (10.1071/ch99085) |
| Roles Classification |
|---|
| Application: | endocrine disruptor Any compound that can disrupt the functions of the endocrine (hormone) system |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Lactothamnolic acid (CHEBI:217088) is a phthalate ester (CHEBI:35484) |
| IUPAC Name |
|---|
| 3-[(6-ormyl-5,7-dihydroxy-1-oxo-3H-2-benzouran-4-yl)oxycarbonyl]-2-hydroxy-6-methoxy-4-methylbenzoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78434885 | ChemSpider |