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CHEBI:209186 - 2',3'-epoxy-13-hydroxy-4'-oxomacrophorin A

ChEBI IDCHEBI:209186
ChEBI Name2',3'-epoxy-13-hydroxy-4'-oxomacrophorin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O6
Net Charge0
Average Mass390.476
Monoisotopic Mass390.20424
SMILESC=C1CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1C[C@@]12O[C@@H]1C(=O)[C@]1(CO)O[C@@H]1C2=O
InChIInChI=1S/C22H30O6/c1-12-5-6-14-19(2,10-23)7-4-8-20(14,3)13(12)9-21-15(25)18-22(11-24,28-18)16(26)17(21)27-21/h13-14,17-18,23-24H,1,4-11H2,2-3H3/t13-,14-,17+,18+,19-,20+,21-,22-/m0/s1
InChIKeyRAJKOLXLUKMCEK-DRLCVFDCSA-N
Species of MetaboliteComponentSourceComments
Hymenopsisspecies NRRL 37638 (ncbitaxon:765310) - PubMed (19928955)
ChEBI Ontology
Outgoing Relation(s)
2',3'-epoxy-13-hydroxy-4'-oxomacrophorin A (CHEBI:209186) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1R,3S,5R,7S)-1-[[(1S,4aR,5R,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-(hydroxymethyl)-4,8-dioxatricyclo[5.1.0.03,5]octane-2,6-dione
Manual XrefsDatabases
78440348ChemSpider