EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C42H70O15 |
| Net Charge | 0 |
| Average Mass | 815.007 |
| Monoisotopic Mass | 814.47147 |
| SMILES | [H][C@@]12CC=C3C(C)(C)[C@@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]3([H])[C@]1(C)CC[C@@]1(C)[C@@]2(C)CC[C@]1([H])[C@H](C)[C@H](O)[C@@H](O)C(=O)C(C)(C)O |
| InChI | InChI=1S/C42H70O15/c1-19(27(44)32(49)35(52)39(4,5)53)20-13-14-42(8)25-11-9-21-22(40(25,6)15-16-41(20,42)7)10-12-26(38(21,2)3)57-37-34(51)31(48)29(46)24(56-37)18-54-36-33(50)30(47)28(45)23(17-43)55-36/h9,19-20,22-34,36-37,43-51,53H,10-18H2,1-8H3/t19-,20+,22+,23+,24+,25+,26-,27-,28+,29+,30-,31-,32+,33+,34+,36+,37-,40-,41+,42-/m0/s1 |
| InChIKey | JRCQXODHWLEPSP-BSIAXBLVSA-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) |
| Goyaglycoside H (CHEBI:145194) is a 3-hydroxy steroid (CHEBI:36834) |
| Goyaglycoside H (CHEBI:145194) is a disaccharide derivative (CHEBI:63353) |
| Goyaglycoside H (CHEBI:145194) is a steroid saponin (CHEBI:61655) |