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CHEBI:225552 - Asperaustin B
| Formula | C27H32O8 |
| Net Charge | 0 |
| Average Mass | 484.545 |
| Monoisotopic Mass | 484.20972 |
| SMILES | C=C1[C@]2(C)C(=O)[C@]3(O)[C@H](C)OC(=O)[C@]13[C@@]1(C)CC[C@@]3(C=CC(=O)OC3(C)C)C(C)=C1[C@@H]2OC(C)=O |
| InChI | InChI=1S/C27H32O8/c1-13-18-19(34-16(4)28)24(8)14(2)26(21(31)33-15(3)27(26,32)20(24)30)23(18,7)11-12-25(13)10-9-17(29)35-22(25,5)6/h9-10,15,19,32H,2,11-12H2,1,3-8H3/t15-,19-,23-,24-,25-,26-,27+/m0/s1 |
| InChIKey | DBPLAZICOMCSTQ-SEXHNDBISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillusspecies (ncbitaxon:5065) | - | PubMed (31867967) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Asperaustin B (CHEBI:225552) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| [(1S,2S,5R,8S,9S,11R,12S)-11-hydroxy-2,2',2',6,9,12-hexamethyl-15-methylidene-6',10,14-trioxospiro[13-oxatetracyclo[7.5.1.01,11.02,7]pentadec-6-ene-5,3'-pyran]-8-yl] acetate |
| Manual Xrefs | Databases |
|---|---|
| 81367094 | ChemSpider |