EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C31H40O15 |
| Net Charge | 0 |
| Average Mass | 652.646 |
| Monoisotopic Mass | 652.23672 |
| SMILES | CC(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)CC(C)(O)CC(=O)O[C@H](COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O)[C@H]1O |
| InChI | InChI=1S/C31H40O15/c1-15(2)42-29-26(37)28(25(36)20(13-32)44-29)46-24(35)12-31(5,39)11-23(34)45-21(30(3,4)38)14-41-27-16-6-7-22(33)43-19(16)10-18-17(27)8-9-40-18/h6-10,15,20-21,25-26,28-29,32,36-39H,11-14H2,1-5H3/t20-,21-,25-,26-,28+,29-,31?/m1/s1 |
| InChIKey | OQCKBNSJKRJRSM-PCWNKMJXSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Citrus hystrix (ncbitaxon:170989) | exocarp (BTO:0000733) | PubMed (20964319) | The CH2Cl2 extract of dried and ground fruit peels |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| citrusoside D (CHEBI:70472) has role metabolite (CHEBI:25212) |
| citrusoside D (CHEBI:70472) is a lipopolysaccharide (CHEBI:16412) |
| Citations |
|---|