EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C31H52O12 |
| Net Charge | 0 |
| Average Mass | 616.745 |
| Monoisotopic Mass | 616.34588 |
| SMILES | C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O |
| InChI | InChI=1S/C31H52O12/c1-16(5-7-18-17(2)6-8-21-30(18,3)11-9-22(34)31(21,4)15-33)10-12-40-28-27(39)25(37)24(36)20(43-28)14-41-29-26(38)23(35)19(13-32)42-29/h10,18-29,32-39H,2,5-9,11-15H2,1,3-4H3/b16-10+ |
| InChIKey | NUDLZKKCTSSWNM-MHWRWJLKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood serum (BTO:0000133) | Article |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Goshonoside F6 (CHEBI:180838) is a diterpene glycoside (CHEBI:71939) |
| IUPAC Name |
|---|
| 2-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(E)-5-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]oxane-3,4,5-triol |
| Manual Xrefs | Databases |
|---|---|
| HMDB0038542 | HMDB |