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CHEBI:210146 - Alterbrabetainoid D
| Formula | C42H60O10 |
| Net Charge | 0 |
| Average Mass | 724.932 |
| Monoisotopic Mass | 724.41865 |
| SMILES | COC[C@@]1(O)CC[C@@H]2C1=C[C@@]1(C[C@H]3C(=O)C(C(C)C)=C4C[C@H](O)[C@H](C)[C@@H]5CC[C@](O)(COC)/C5=C/[C@]43C)C(=O)OC(=O)C(C(C)C)=C1C[C@H](O)[C@@H]2C |
| InChI | InChI=1S/C42H60O10/c1-21(2)34-27-14-32(43)23(5)25-10-12-41(48,19-50-8)29(25)16-39(27,7)31(36(34)45)18-40-17-30-26(11-13-42(30,49)20-51-9)24(6)33(44)15-28(40)35(22(3)4)37(46)52-38(40)47/h16-17,21-26,31-33,43-44,48-49H,10-15,18-20H2,1-9H3/b29-16+,30-17?/t23-,24-,25+,26+,31+,32+,33+,39-,40+,41+,42+/m1/s1 |
| InChIKey | KEACQXUNLKSMBA-HTHHETAASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Alternaria brassicicola (ncbitaxon:29001) | - | PubMed (31573213) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Alterbrabetainoid D (CHEBI:210146) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (1R,4R,7S,8R,9S)-1-[[(1E,3S,4R,9S,10R,11S,14R)-9,14-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-5-oxo-6-propan-2-yl-4-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]methyl]-4,9-dihydroxy-4-(methoxymethyl)-8-methyl-12-propan-2-yl-14-oxatricyclo[9.4.0.03,7]pentadeca-2,11-diene-13,15-dione |