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CHEBI:199179 - Kolokoside B
| Formula | C36H58O9 |
| Net Charge | 0 |
| Average Mass | 634.851 |
| Monoisotopic Mass | 634.40808 |
| SMILES | CC(C)[C@H]1CC(=O)[C@@H]2[C@]1(C)[C@H](O)C[C@]1(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)C[C@]4(C)C3=CC[C@@]21C |
| InChI | InChI=1S/C36H58O9/c1-17(2)20-13-21(38)29-34(6)12-11-18-19(35(34,7)15-25(40)36(20,29)8)9-10-24-32(3,4)30(22(39)14-33(18,24)5)45-31-28(43)27(42)26(41)23(16-37)44-31/h11,17,19-20,22-31,37,39-43H,9-10,12-16H2,1-8H3/t19-,20+,22+,23+,24-,25+,26+,27-,28+,29-,30-,31-,33+,34-,35+,36-/m0/s1 |
| InChIKey | PWZRVQJZHPSMOZ-XARKKIKSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Xylariaspecies (ncbitaxon:1715255) | - | PubMed (17284074) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Kolokoside B (CHEBI:199179) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (3R,3aR,4R,5aR,5bR,7aR,9R,10R,11aS,13aS,13bS)-4,10-dihydroxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,5b,6,7,7a,9,10,11,13,13b-dodecahydro-2H-cyclopenta[a]chrysen-1-one |
| Manual Xrefs | Databases |
|---|---|
| 78440035 | ChemSpider |