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CHEBI:190270 - Atractyloside I
| Formula | C27H44O13 |
| Net Charge | 0 |
| Average Mass | 576.636 |
| Monoisotopic Mass | 576.27819 |
| SMILES | [H][C@@]1(C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)CC(=O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(C)[C@]2([H])C1 |
| InChI | InChI=1S/C27H44O13/c1-11-13-7-12(26(2,3)40-25-22(36)20(34)18(32)16(10-29)38-25)5-6-27(13,4)8-14(30)23(11)39-24-21(35)19(33)17(31)15(9-28)37-24/h12-13,15-22,24-25,28-29,31-36H,5-10H2,1-4H3/t12-,13+,15-,16-,17-,18-,19+,20+,21-,22-,24+,25+,27+/m1/s1 |
| InChIKey | XMFJYFXSIKDRHJ-OJGKPVIHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Synechococcus elongatus PCC 7942 (ncbitaxon:32046) | cell culture (BTO:0000214) | MetaboLights (MTBLS2825) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Atractyloside I (CHEBI:190270) is a terpene glycoside (CHEBI:61777) |
| IUPAC Name |
|---|
| (4aR,6R,8aS)-4,8a-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,4a,5,6,7,8-hexahydronaphthalen-2-one |