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CHEBI:199412 - Guignardone J
| Formula | C17H24O5 |
| Net Charge | 0 |
| Average Mass | 308.374 |
| Monoisotopic Mass | 308.16237 |
| SMILES | C=C(C)[C@@H]1CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)[C@](O)(CO)C[C@@H]3O |
| InChI | InChI=1S/C17H24O5/c1-9(2)10-4-5-16(3)12(10)6-11-14(22-16)13(19)7-17(21,8-18)15(11)20/h10,12-13,18-19,21H,1,4-8H2,2-3H3/t10-,12-,13-,16+,17+/m0/s1 |
| InChIKey | NDRMXJQIHGDADJ-AWKHGQQRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Guignardiaspecies (ncbitaxon:1715232) | - | PubMed (26577190) | |
| Phyllosticta capitalensis (ncbitaxon:121624) | - | PubMed (25519918) | |
| Aspergillus (ncbitaxon:5052) | - | PubMed (25574738) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Guignardone J (CHEBI:199412) is a cyclohexenones (CHEBI:48953) |
| IUPAC Names |
|---|
| (1R,3aR,5S,7R,9aS)-5,7-dihydroxy-7-(hydroxymethyl)-3a-methyl-1-prop-1-en-2-yl-2,3,5,6,9,9a-hexahydro-1H-cyclopenta[b]chromen-8-one |
| (1R,4R,7R,8S,12S)-1-hydroxy-7-(2-hydroxypropan-2-yl)-4-methyl-3,13-dioxatetracyclo[10.2.1.02,10.04,8]pentadec-2(10)-en-11-one |
| (1R,3aR,5S,7S,9aS)-1-acetyl-5-hydroxy-7-methoxy-3a-methyl-1,2,3,5,6,7,9,9a-octahydrocyclopenta[b]chromen-8-one |