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CHEBI:183950 - Polygalic acid
| Formula | C29H44O6 |
| Net Charge | 0 |
| Average Mass | 488.665 |
| Monoisotopic Mass | 488.31379 |
| SMILES | [H][C@]12CCC3=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/C29H44O6/c1-25(2)12-13-29(24(34)35)11-8-17-16(18(29)14-25)6-7-20-26(17,3)10-9-21-27(20,4)15-19(30)22(31)28(21,5)23(32)33/h18-22,30-31H,6-15H2,1-5H3,(H,32,33)(H,34,35)/t18-,19-,20-,21+,22-,26-,27+,28-,29+/m0/s1 |
| InChIKey | VZRKWGPIZJDNHC-LUNVCWBOSA-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) |
| Polygalic acid (CHEBI:183950) is a 12α-hydroxy steroid (CHEBI:36846) |
| IUPAC Name |
|---|
| (2S,3R,4S,4aR,6aR,8aS,12aS,14aR,14bR)-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 |