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CHEBI:223534 - Tomophagusin I
| Formula | C30H44O4 |
| Net Charge | 0 |
| Average Mass | 468.678 |
| Monoisotopic Mass | 468.32396 |
| SMILES | CC1=CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)C[C@@]2(O)CCC(=O)C(C)(C)[C@@H]2CC4)OC1=O |
| InChI | InChI=1S/C30H44O4/c1-18-7-9-23(34-26(18)32)19(2)21-12-15-29(6)22-8-10-24-27(3,4)25(31)13-16-30(24,33)17-20(22)11-14-28(21,29)5/h7,19,21,23-24,33H,8-17H2,1-6H3/t19-,21+,23-,24-,28+,29-,30-/m0/s1 |
| InChIKey | HTUOHQYHURXMRF-INTWAHKCSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Tomophagusspecies (ncbitaxon:2782489) | - | PubMed (30983350) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Tomophagusin I (CHEBI:223534) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2S)-2-[(1S)-1-[(3S,8S,12R,15R,16R)-3-hydroxy-7,7,12,16-tetramethyl-6-oxo-15-tetracyclo[9.7.0.03,8.012,16]octadec-1(11)-enyl]ethyl]-5-methyl-2,3-dihydropyran-6-one |