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CHEBI:229201 - 1,2,3,19-Tetrahydroxyurs-12-en-28-oic acid
| Formula | C30H48O6 |
| Net Charge | 0 |
| Average Mass | 504.708 |
| Monoisotopic Mass | 504.34509 |
| SMILES | [H][C@]12CC=C3[C@]4([H])[C@](C(=O)O)(CC[C@@H](C)[C@@]4(C)O)CC[C@@]3(C)[C@]1(C)CCC1C(C)(C)[C@H](O)[C@H](O)[C@@H](O)[C@@]12C |
| InChI | InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18?,19+,20+,21+,22-,23-,26-,27-,28+,29-,30+/m1/s1 |
| InChIKey | VULLSLYDWNGNKZ-JLEXXDIYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Zea mays (ncbitaxon:4577) | exometabolome | MetaboLights (MTBLS8903) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1,2,3,19-Tetrahydroxyurs-12-en-28-oic acid (CHEBI:229201) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (1R,2R,4aS,6aS,6aS,6bR,10S,11S,12S,12aR,14bR)-1,10,11,12-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 164794 | ChemSpider |