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CHEBI:215121 - Seco-penicitrinol A

ChEBI IDCHEBI:215121
ChEBI NameSeco-penicitrinol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O6
Net Charge0
Average Mass398.455
Monoisotopic Mass398.17294
SMILESCc1c(O)cc2oc3c4c(c(C)c(O)c3c(=O)c2c1[C@H](C)[C@@H](C)O)[C@H](C)[C@@H](C)O4
InChIInChI=1S/C23H26O6/c1-8(12(5)24)16-10(3)14(25)7-15-18(16)21(27)19-20(26)11(4)17-9(2)13(6)28-22(17)23(19)29-15/h7-9,12-13,24-26H,1-6H3/t8-,9-,12-,13-/m1/s1
InChIKeyQJDBIQCTKLKBFF-NRMKKVEVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.phytol.2018.04.023)
ChEBI Ontology
Outgoing Relation(s)
Seco-penicitrinol A (CHEBI:215121) is a xanthones (CHEBI:51149)
IUPAC Name 
(2R,3S)-5,9-dihydroxy-7-[(2S,3R)-3-hydroxybutan-2-yl]-2,3,4,8-tetramethyl-2,3-dihydrouro[3,2-c]xanthen-6-one
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71048814ChemSpider