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CHEBI:207637 - (2R)-4-hydroxy-2-[[(3S)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]methyl]-3-(4-hydroxyphenyl)-2H-uran-5-one

ChEBI IDCHEBI:207637
ChEBI Name(2R)-4-hydroxy-2-[[(3S)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]methyl]-3-(4-hydroxyphenyl)-2H-uran-5-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O6
Net Charge0
Average Mass382.412
Monoisotopic Mass382.14164
SMILESCC1(C)Oc2ccc(C[C@H]3OC(=O)C(O)=C3c3ccc(O)cc3)cc2C[C@@H]1O
InChIInChI=1S/C22H22O6/c1-22(2)18(24)11-14-9-12(3-8-16(14)28-22)10-17-19(20(25)21(26)27-17)13-4-6-15(23)7-5-13/h3-9,17-18,23-25H,10-11H2,1-2H3/t17-,18+/m1/s1
InChIKeyOFDJVCBYZMERME-MSOLQXFVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25522319)
ChEBI Ontology
Outgoing Relation(s)
(2R)-4-hydroxy-2-[[(3S)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]methyl]-3-(4-hydroxyphenyl)-2H-uran-5-one (CHEBI:207637) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(2R)-4-hydroxy-2-[[(3S)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]methyl]-3-(4-hydroxyphenyl)-2H-uran-5-one
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34981201ChemSpider