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CHEBI:199142 - Sodagnitin E
| Formula | C30H44O6 |
| Net Charge | 0 |
| Average Mass | 500.676 |
| Monoisotopic Mass | 500.31379 |
| SMILES | C=C(C1=CC(=O)C(C)(C)O1)[C@@H]1CC=C([C@@H]2CC[C@H]3[C@@]2(C)CC[C@H]2C(C)(C)[C@@H](O)[C@H](O)C[C@]32C)[C@H](O)O1 |
| InChI | InChI=1S/C30H44O6/c1-16(21-14-24(32)28(4,5)36-21)20-10-8-17(26(34)35-20)18-9-11-23-29(18,6)13-12-22-27(2,3)25(33)19(31)15-30(22,23)7/h8,14,18-20,22-23,25-26,31,33-34H,1,9-13,15H2,2-7H3/t18-,19+,20-,22-,23-,25-,26+,29-,30-/m0/s1 |
| InChIKey | MHETUFPYEAZBMK-MKZYURAWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Calonarius sodagnitus (ncbitaxon:201461) | - | DOI (10.1002/(sici)1099-0690(199901)1999:1<255::aid-ejoc255>3.0.co;2-6) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Sodagnitin E (CHEBI:199142) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| 5-[1-[(2S,6R)-5-[(3R,3aR,5aR,7R,8R,9aR,9bS)-7,8-dihydroxy-3a,6,6,9a-tetramethyl-1,2,3,4,5,5a,7,8,9,9b-decahydrocyclopenta[a]naphthalen-3-yl]-6-hydroxy-3,6-dihydro-2H-pyran-2-yl]ethenyl]-2,2-dimethyluran-3-one |
| Manual Xrefs | Databases |
|---|---|
| 8919328 | ChemSpider |