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CHEBI:208225 - Tricycloalterfurene B

ChEBI IDCHEBI:208225
ChEBI NameTricycloalterfurene B
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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)C/C=C/C(C)(C)OO
InChIInChI=1S/C21H30O6/c1-13(6-5-9-20(2,3)27-24)10-14-12-21(4)18(25-14)11-15-16(22)7-8-17(23)19(15)26-21/h5,9-10,14,17-18,23-24H,6-8,11-12H2,1-4H3/b9-5+,13-10+/t14-,17-,18+,21+/m0/s1
InChIKeyRIJUSTJSMDNKKJ-VHAAVVDMSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - PubMed (28836786)
ChEBI Ontology
Outgoing Relation(s)
Tricycloalterfurene B (CHEBI:208225) is a furopyran (CHEBI:74927)
IUPAC Name 
(2R,3aR,5S,9aR)-2-[(1E,4E)-6-hydroperoxy-2,6-dimethylhepta-1,4-dienyl]-5-hydroxy-3a-methyl-3,5,6,7,9,9a-hexahydro-2H-uro[3,2-b]chromen-8-one
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62343760ChemSpider