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CHEBI:224338 - 7-methoxyshearinine P
| Formula | C38H49NO8 |
| Net Charge | 0 |
| Average Mass | 647.809 |
| Monoisotopic Mass | 647.34582 |
| SMILES | CO[C@]12CC[C@@]3(C)[C@@](O)(CC[C@H]4CC(=O)c5cc6c(cc5NC(=O)[C@@]43C)C3=C(C6)C(C)(C)OC(C)(C)C3)C1=CC(=O)[C@@H](C(C)(C)O)O2 |
| InChI | InChI=1S/C38H49NO8/c1-32(2)19-24-22-17-26-23(14-20(22)15-25(24)34(5,6)47-32)27(40)16-21-10-11-37(44)29-18-28(41)30(33(3,4)43)46-38(29,45-9)13-12-35(37,7)36(21,8)31(42)39-26/h14,17-18,21,30,43-44H,10-13,15-16,19H2,1-9H3,(H,39,42)/t21-,30-,35+,36+,37+,38-/m0/s1 |
| InChIKey | DZQLXOZYLFXGEK-OVMHHYBGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium (ncbitaxon:5073) | - | PubMed (31117519) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-methoxyshearinine P (CHEBI:224338) is a organic heterotricyclic compound (CHEBI:26979) |
| 7-methoxyshearinine P (CHEBI:224338) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| (1S,19S,22S,26R,28S,31R)-22-hydroxy-26-(2-hydroxypropan-2-yl)-28-methoxy-1,9,9,11,11,31-hexamethyl-10,27-dioxa-3-azaheptacyclo[17.12.0.04,16.06,14.07,12.022,31.023,28]hentriaconta-4(16),5,7(12),14,23-pentaene-2,17,25-trione |