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CHEBI:169061 - Sanguisorbic acid dilactone
| Formula | C21H10O13 |
| Net Charge | 0 |
| Average Mass | 470.298 |
| Monoisotopic Mass | 470.01214 |
| SMILES | O=C(O)c1cc(O)c(O)c(Oc2c(O)c(=O)c3oc(O)c4cc(O)c(=O)c5oc(O)c2c3c45)c1 |
| InChI | InChI=1S/C21H10O13/c22-6-1-4(19(28)29)2-8(12(6)24)32-18-11-10-9-5(20(30)33-17(10)14(26)15(18)27)3-7(23)13(25)16(9)34-21(11)31/h1-3,22-24,27,30-31H,(H,28,29) |
| InChIKey | KENINNFPWDPMKJ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Sanguisorbic acid dilactone (CHEBI:169061) is a trihydroxybenzoic acid (CHEBI:27115) |
| IUPAC Name |
|---|
| 3,4-dihydroxy-5-[(3,6,10,13-tetrahydroxy-7,14-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),3,5,8(16),10,12-hexaen-5-yl)oxy]benzoic acid |