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CHEBI:183955 - Senegenin
| Formula | C30H45ClO6 |
| Net Charge | 0 |
| Average Mass | 537.137 |
| Monoisotopic Mass | 536.29047 |
| SMILES | [H][C@]12C[C@H](CCl)C3=C(CC[C@@]4(C(=O)O)CCC(C)(C)C[C@@]34[H])[C@]1(C)CC[C@]1([H])[C@]2(C)C[C@H](O)[C@H](O)[C@@]1(C)C(=O)O |
| InChI | InChI=1S/C30H45ClO6/c1-26(2)10-11-30(25(36)37)9-6-17-22(18(30)13-26)16(15-31)12-21-27(17,3)8-7-20-28(21,4)14-19(32)23(33)29(20,5)24(34)35/h16,18-21,23,32-33H,6-15H2,1-5H3,(H,34,35)(H,36,37)/t16-,18+,19+,20-,21+,23+,27+,28+,29+,30-/m1/s1 |
| InChIKey | CWHJIJJSDGEHNS-MYLFLSLOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | small intestine (BTO:0000651) | MetaboLights (MTBLS3486) | Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424] |
| Nippostrongylus brasiliensis (ncbitaxon:27835) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS3486) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Senegenin (CHEBI:183955) is a 12α-hydroxy steroid (CHEBI:36846) |
| IUPAC Name |
|---|
| (2S,3R,4S,4aR,6aR,8aS,12aS,13S,14aR,14bR)-13-(chloromethyl)-2,3-dihydroxy-4,6a,11,11,14b-pentamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picene-4,8a-dicarboxylic acid |