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CHEBI:201243 - Scoparasin C
| Formula | C28H33NO8 |
| Net Charge | 0 |
| Average Mass | 511.571 |
| Monoisotopic Mass | 511.22062 |
| SMILES | C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccc(O)cc4)NC(=O)[C@]32OC(=O)O/C=C/[C@@](C)(O)C1=O |
| InChI | InChI=1S/C28H33NO8/c1-15-6-5-7-19-23-27(4,36-23)16(2)21-20(14-17-8-10-18(30)11-9-17)29-24(32)28(19,21)37-25(33)35-13-12-26(3,34)22(15)31/h5,7-13,15-16,19-21,23,30,34H,6,14H2,1-4H3,(H,29,32)/b7-5+,13-12+/t15-,16-,19-,20-,21-,23-,26+,27+,28+/m0/s1 |
| InChIKey | CNZLGXYXQHQUGI-MFXLXQLLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Eutypella (ncbitaxon:140192) | - | DOI (10.1016/j.phytol.2015.06.010) | |
| Peroneutypa scoparia (ncbitaxon:1736665) | - | DOI (10.1177/1934578x1501001203) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Scoparasin C (CHEBI:201243) is a isoindoles (CHEBI:24897) |
| IUPAC Names |
|---|
| (1S,5E,7R,9S,11E,13S,14S,16R,17S,18S,19S)-7-hydroxy-19-[(4-hydroxyphenyl)methyl]-7,9,16,17-tetramethyl-2,4,15-trioxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-5,11-diene-3,8,21-trione |
| [(1aS,2S,2aS,5S,5aS,6S,6aR)-2-[(E,4S,6R)-6-hydroxy-8,8-dimethoxy-4,6-dimethyl-5-oxooct-1-enyl]-5-[(4-methoxyphenyl)methyl]-6,6a-dimethyl-3-oxo-1a,2,4,5,5a,6-hexahydrooxireno[2,3-]isoindol-2a-yl] methyl carbonate |