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CHEBI:227384 - Applanlactone A
| Formula | C30H42O8 |
| Net Charge | 0 |
| Average Mass | 530.658 |
| Monoisotopic Mass | 530.28797 |
| SMILES | C[C@H]1C[C@@H](C[C@](C)(O)[C@H]2C[C@@H](O)[C@@]3(C)[C@]4(O)C(=O)C[C@H]5C(C)(C)C(=O)CC[C@]5(C)C4=CC(=O)[C@]23C)OC1=O |
| InChI | InChI=1S/C30H42O8/c1-15-10-16(38-24(15)35)14-27(5,36)19-13-22(33)29(7)28(19,6)21(32)12-18-26(4)9-8-20(31)25(2,3)17(26)11-23(34)30(18,29)37/h12,15-17,19,22,33,36-37H,8-11,13-14H2,1-7H3/t15-,16-,17-,19+,22+,26-,27-,28-,29+,30+/m0/s1 |
| InChIKey | UUXRMEDPYJOTRV-AOHQVXHWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganoderma applanatum (ncbitaxon:29884) | - | PubMed (30390604) |
| Roles Classification |
|---|
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Applanlactone A (CHEBI:227384) is a withanolide (CHEBI:74716) |
| IUPAC Name |
|---|
| (5R,8S,10S,13R,14S,15R,17S)-8,15-dihydroxy-17-[(2S)-2-hydroxy-1-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]propan-2-yl]-4,4,10,13,14-pentamethyl-2,5,6,15,16,17-hexahydro-1H-cyclopenta[a]phenanthrene-3,7,12-trione |