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CHEBI:191761 - 22alpha-Hydroxyerythrodiol
| Formula | C30H50O3 |
| Net Charge | 0 |
| Average Mass | 458.727 |
| Monoisotopic Mass | 458.37600 |
| SMILES | [H][C@]12CC=C3[C@]4([H])CC(C)(C)C[C@H](O)[C@]4(CO)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C |
| InChI | InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-29(22,7)28(19,6)14-15-30(20,18-31)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1 |
| InChIKey | YXTURDGNXCWFHX-NEPODAOMSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ulmus parvifolia (ncbitaxon:63058) | |||
| bark (BTO:0001301) | MetaboLights (MTBLS4572) | ||
| seed (BTO:0001226) | MetaboLights (MTBLS4572) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 22alpha-Hydroxyerythrodiol (CHEBI:191761) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (3S,4aR,6aR,6bS,8aR,9S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol |
| Manual Xrefs | Databases |
|---|---|
| 10217356 | ChemSpider |