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CHEBI:211020 - Parmosidone C

Default Structure
ChEBI IDCHEBI:211020
ChEBI NameParmosidone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H24O12
Net Charge0
Average Mass552.488
Monoisotopic Mass552.12678
SMILESCOC(=O)c1c(C)c(Cc2c(O)c(C(=O)O)c(C)c3c2Oc2c(C=O)c(O)cc(C)c2C(=O)O3)c(O)c(C)c1O
InChIInChI=1S/C28H24O12/c1-9-6-16(30)15(8-29)24-17(9)28(37)40-23-11(3)18(26(34)35)22(33)14(25(23)39-24)7-13-10(2)19(27(36)38-5)21(32)12(4)20(13)31/h6,8,30-33H,7H2,1-5H3,(H,34,35)
InChIKeyRLAVQBCJJGLTBJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Parmotrema (ncbitaxon:172634) - DOI (10.1016/j.tet.2015.06.107)
ChEBI Ontology
Outgoing Relation(s)
Parmosidone C (CHEBI:211020) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
1-[(2,4-dihydroxy-5-methoxycarbonyl-3,6-dimethylphenyl)methyl]-10-ormyl-2,9-dihydroxy-4,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-3-carboxylic acid
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78436016ChemSpider