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CHEBI:198849 - Baumin

ChEBI IDCHEBI:198849
ChEBI NameBaumin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H22O11
Net Charge0
Average Mass522.462
Monoisotopic Mass522.11621
SMILESCOC(=O)CC1=CC(=O)[C@H](c2c(O)cc(/C=C/c3ccc(O)c(O)c3)oc2=O)[C@@H](c2ccc(O)c(O)c2)O1
InChIInChI=1S/C27H22O11/c1-36-23(34)12-16-11-21(32)24(26(37-16)14-4-7-18(29)20(31)9-14)25-22(33)10-15(38-27(25)35)5-2-13-3-6-17(28)19(30)8-13/h2-11,24,26,28-31,33H,12H2,1H3/b5-2+/t24-,26-/m1/s1
InChIKeyJZRMMLYGOBWIGY-HZFVGLMFSA-N
Species of MetaboliteComponentSourceComments
Sanghuangporus baumii (ncbitaxon:108892) - PubMed (20708931)
ChEBI Ontology
Outgoing Relation(s)
Baumin (CHEBI:198849) is a catechols (CHEBI:33566)
IUPAC Name 
methyl 2-[(2S,3R)-2-(3,4-dihydroxyphenyl)-3-[6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl]-4-oxo-2,3-dihydropyran-6-yl]acetate
Manual XrefsDatabases
25053800ChemSpider