EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C42H72O14 |
| Net Charge | 0 |
| Average Mass | 801.024 |
| Monoisotopic Mass | 800.49221 |
| SMILES | [H][C@@]12CC=C3C(C)(C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]3([H])[C@]1(C)[C@H](O)C[C@@]1(C)[C@@]2(C)CC[C@]1([H])[C@H](C)CC[C@@H](O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C42H72O14/c1-20(9-13-27(45)39(4,5)56-37-35(52)33(50)31(48)25(19-44)54-37)21-15-16-40(6)26-12-10-22-23(42(26,8)28(46)17-41(21,40)7)11-14-29(38(22,2)3)55-36-34(51)32(49)30(47)24(18-43)53-36/h10,20-21,23-37,43-52H,9,11-19H2,1-8H3/t20-,21-,23-,24-,25-,26+,27-,28-,29+,30-,31-,32+,33+,34-,35-,36+,37+,40+,41-,42+/m1/s1 |
| InChIKey | OMJOQOVMHUWPCF-VHLOEOCYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Momordica charantia (ncbitaxon:3673) | seed (BTO:0001226) | MetaboLights (MTBLS701) |
| 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) |
| Mogroside II B (CHEBI:145196) is a 3-hydroxy steroid (CHEBI:36834) |
| Mogroside II B (CHEBI:145196) is a steroid saponin (CHEBI:61655) |
| Mogroside II B (CHEBI:145196) is a β-D-glucoside (CHEBI:22798) |