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CHEBI:217155 - Penicimeroterpenoid A
| Formula | C28H36O9 |
| Net Charge | 0 |
| Average Mass | 516.587 |
| Monoisotopic Mass | 516.23593 |
| SMILES | COC(=O)[C@@]12C(=O)[C@](C)(O)C(=O)[C@@H](C(C)=C1C)[C@H]1[C@]34CC[C@H](OC(C)=O)C(C)(C)[C@H]3[C@H](C[C@@]12C)OC4=O |
| InChI | InChI=1S/C28H36O9/c1-12-13(2)28(23(33)35-8)21(31)26(7,34)20(30)17(12)19-25(28,6)11-15-18-24(4,5)16(36-14(3)29)9-10-27(18,19)22(32)37-15/h15-19,34H,9-11H2,1-8H3/t15-,16-,17-,18+,19+,25-,26+,27-,28-/m0/s1 |
| InChIKey | NKJCLWNIOFTRBB-ATJGWEJGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium (ncbitaxon:5073) | - | PubMed (32806192) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Penicimeroterpenoid A (CHEBI:217155) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| methyl (1R,2R,3R,5R,7R,8S,10S,11R,13S)-13-acetyloxy-5-hydroxy-5,8,12,12,18,19-hexamethyl-4,6,16-trioxo-17-oxapentacyclo[8.5.2.23,7.01,11.02,8]nonadec-18-ene-7-carboxylate |
| Manual Xrefs | Databases |
|---|---|
| 90298196 | ChemSpider |