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CHEBI:210334 - Tricycloalterfurene E

ChEBI IDCHEBI:210334
ChEBI NameTricycloalterfurene E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O6
Net Charge0
Average Mass378.465
Monoisotopic Mass378.20424
SMILESC/C(=C\[C@H]1C[C@@]2(C)OC3=C(C[C@H]2O1)C(=O)CC[C@H]3O)CCC[C@H](C)C(=O)O
InChIInChI=1S/C21H30O6/c1-12(5-4-6-13(2)20(24)25)9-14-11-21(3)18(26-14)10-15-16(22)7-8-17(23)19(15)27-21/h9,13-14,17-18,23H,4-8,10-11H2,1-3H3,(H,24,25)/b12-9+/t13-,14-,17+,18+,21+/m0/s1
InChIKeyQJKWPWFMPPUACX-DSPNLGSHSA-N
Species of MetaboliteComponentSourceComments
Stemphyliumspecies FJJ006 (ncbitaxon:1874986) - PubMed (32825785)
ChEBI Ontology
Outgoing Relation(s)
Tricycloalterfurene E (CHEBI:210334) is a furopyran (CHEBI:74927)
IUPAC Name 
(E,2S)-7-[(2R,3aR,5R,9aR)-5-hydroxy-3a-methyl-8-oxo-3,5,6,7,9,9a-hexahydro-2H-uro[3,2-b]chromen-2-yl]-2,6-dimethylhept-6-enoic acid