EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H28O13 |
| Net Charge | 0 |
| Average Mass | 428.387 |
| Monoisotopic Mass | 428.15299 |
| SMILES | CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O |
| WURCS | WURCS=2.0/2,3,2/[axxxh-1x_1-5][axxxxm-1x_1-5]/1-2-1/a2-b1_b4-c1 |
| InChI | InChI=1S/C16H28O13/c1-4-12(28-15-10(22)7(19)5(17)3-26-15)9(21)11(23)16(27-4)29-13-8(20)6(18)2-25-14(13)24/h4-24H,2-3H2,1H3 |
| InChIKey | YRPDOTZSNIEQMF-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| b-D-Xylopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-L-arabinose (CHEBI:168057) is a oligosaccharide (CHEBI:50699) |
| IUPAC Name |
|---|
| 3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxyoxane-2,4,5-triol |
| Manual Xrefs | Databases |
|---|---|
| HMDB0041221 | HMDB |