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CHEBI:209855 - Banksialactone I

ChEBI IDCHEBI:209855
ChEBI NameBanksialactone I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H24O12
Net Charge0
Average Mass564.499
Monoisotopic Mass564.12678
SMILESCOc1cc(O)c2c(c1C)[C@H](C)C(O)(COC(=O)c1c(C)cc3c(c1O)C(=O)c1c(O)cc(O)cc1C3=O)OC2=O
InChIInChI=1S/C29H24O12/c1-10-5-14-22(26(35)21-15(24(14)33)6-13(30)7-16(21)31)25(34)19(10)27(36)40-9-29(38)12(3)20-11(2)18(39-4)8-17(32)23(20)28(37)41-29/h5-8,12,30-32,34,38H,9H2,1-4H3/t12-,29?/m0/s1
InChIKeyVTDIVMBLAPRDQL-ZINHSSCWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus banksianus (ncbitaxon:2175282) - PubMed (29920099)
ChEBI Ontology
Outgoing Relation(s)
Banksialactone I (CHEBI:209855) is a anthracenes (CHEBI:46955)
IUPAC Name 
[(4S)-3,8-dihydroxy-6-methoxy-4,5-dimethyl-1-oxo-4H-isochromen-3-yl]methyl 1,6,8-trihydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylate
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78439101ChemSpider