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CHEBI:226865 - Orbiocrellone A

ChEBI IDCHEBI:226865
ChEBI NameOrbiocrellone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H26O14
Net Charge0
Average Mass634.546
Monoisotopic Mass634.13226
SMILESCOC(=O)c1c(O)c(C)cc(O)c1C(=O)c1c(O)ccc(-c2ccc(O)c(C(=O)c3c(O)cc(C)c(O)c3C(=O)OC)c2O)c1O
InChIInChI=1S/C32H26O14/c1-11-9-17(35)19(23(25(11)37)31(43)45-3)29(41)21-15(33)7-5-13(27(21)39)14-6-8-16(34)22(28(14)40)30(42)20-18(36)10-12(2)26(38)24(20)32(44)46-4/h5-10,33-40H,1-4H3
InChIKeyRTZMHEKBIOKYOA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Orbiocrella (ncbitaxon:1105339) - DOI (10.1016/j.tet.2019.130646)
ChEBI Ontology
Outgoing Relation(s)
Orbiocrellone A (CHEBI:226865) is a hydroxybiphenyls (CHEBI:24681)
IUPAC Name 
methyl 2-[3-[3-(3,6-dihydroxy-2-methoxycarbonyl-4-methylbenzoyl)-2,4-dihydroxyphenyl]-2,6-dihydroxybenzoyl]-3,6-dihydroxy-5-methylbenzoate