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CHEBI:219728 - 3-alpha hydroxybarbatic acid

Default Structure
ChEBI IDCHEBI:219728
ChEBI Name3-alpha hydroxybarbatic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O8
Net Charge0
Average Mass376.361
Monoisotopic Mass376.11582
SMILESCOc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(O)c1CO
InChIInChI=1S/C19H20O8/c1-8-5-12(10(3)16(21)14(8)18(23)24)27-19(25)15-9(2)6-13(26-4)11(7-20)17(15)22/h5-6,20-22H,7H2,1-4H3,(H,23,24)
InChIKeyIDFVAUVLQFUXFQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Xanthoparmelia (ncbitaxon:111621) - DOI (10.2307/3242074)
ChEBI Ontology
Outgoing Relation(s)
3-alpha hydroxybarbatic acid (CHEBI:219728) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
2-hydroxy-4-[2-hydroxy-3-(hydroxymethyl)-4-methoxy-6-methylbenzoyl]oxy-3,6-dimethylbenzoic acid