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CHEBI:227498 - Kadhenrischinin B
| Formula | C30H40O6 |
| Net Charge | 0 |
| Average Mass | 496.644 |
| Monoisotopic Mass | 496.28249 |
| SMILES | CC1(C)OC(=O)C=CC2=CC3=C(CC[C@H]21)[C@]1(C)CCC([C@@H]2C[C@]4(O)C[C@H]2OC(=O)[C@]4(C)O)[C@@]1(C)CC3 |
| InChI | InChI=1S/C30H40O6/c1-26(2)20-7-8-21-18(14-17(20)6-9-24(31)36-26)10-12-28(4)22(11-13-27(21,28)3)19-15-30(34)16-23(19)35-25(32)29(30,5)33/h6,9,14,19-20,22-23,33-34H,7-8,10-13,15-16H2,1-5H3/t19-,20+,22?,23+,27-,28+,29-,30-/m0/s1 |
| InChIKey | KRPNEGCSSKRXPW-OGTRLSHWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium (ncbitaxon:5073) | - | PubMed (30476897) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Kadhenrischinin B (CHEBI:227498) is a lactone (CHEBI:25000) |
| IUPAC Name |
|---|
| (9R,13R,17R)-16-[(1R,4R,5S,7S)-4,5-dihydroxy-4-methyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl]-8,8,13,17-tetramethyl-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-6-one |