EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:214514 - Tsugarioside A
| Formula | C38H60O9 |
| Net Charge | 0 |
| Average Mass | 660.889 |
| Monoisotopic Mass | 660.42373 |
| SMILES | CC(=O)O[C@@H]1CCC2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CCC([C@@H](CCC=C(C)C)C(=O)OC2OC(CO)C(O)C(O)C2O)C1(C)CC3 |
| InChI | InChI=1S/C38H60O9/c1-21(2)10-9-11-23(33(44)47-34-32(43)31(42)30(41)27(20-39)46-34)24-14-18-38(8)26-12-13-28-35(4,5)29(45-22(3)40)16-17-36(28,6)25(26)15-19-37(24,38)7/h10,23-24,27-32,34,39,41-43H,9,11-20H2,1-8H3/t23-,24?,27?,28+,29-,30?,31?,32?,34?,36?,37?,38+/m1/s1 |
| InChIKey | LVGXQNCCBAHXHL-VFYJUMGDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganoderma tsugae (ncbitaxon:34467) | - | PubMed (9584403) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Tsugarioside A (CHEBI:214514) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2R)-2-[(3R,5R,14R)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoate |
| Manual Xrefs | Databases |
|---|---|
| 78443768 | ChemSpider |