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CHEBI:202670 - Tajixanthone ethanolate

ChEBI IDCHEBI:202670
ChEBI NameTajixanthone ethanolate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O7
Net Charge0
Average Mass468.546
Monoisotopic Mass468.21480
SMILESC=C(C)[C@H]1COc2c(C)cc3oc4c(C[C@H](O)C(C)(C)OCC)ccc(O)c4c(=O)c3c2[C@@H]1O
InChIInChI=1S/C27H32O7/c1-7-33-27(5,6)19(29)11-15-8-9-17(28)20-24(31)21-18(34-26(15)20)10-14(4)25-22(21)23(30)16(12-32-25)13(2)3/h8-10,16,19,23,28-30H,2,7,11-12H2,1,3-6H3/t16-,19+,23-/m1/s1
InChIKeyOHGILYFGAZVMFG-BVZALQNUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus rugulosus (ncbitaxon:41736) - PubMed (19627125)
ChEBI Ontology
Outgoing Relation(s)
Tajixanthone ethanolate (CHEBI:202670) is a xanthones (CHEBI:51149)
IUPAC Name 
(1R,2S)-8-[(2S)-3-ethoxy-2-hydroxy-3-methylbutyl]-1,11-dihydroxy-5-methyl-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-12-one
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