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CHEBI:169831 - Aurasperone E

ChEBI IDCHEBI:169831
ChEBI NameAurasperone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H28O11
Net Charge0
Average Mass588.565
Monoisotopic Mass588.16316
SMILESCOc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(OC)cc4cc5c(c(O)c4c3OC)C(=O)CC(C)(O)O5)c2c1
InChIInChI=1S/C32H28O11/c1-13-7-17(33)26-29(36)23-16(10-15(38-3)11-20(23)40-5)24(31(26)42-13)27-19(39-4)8-14-9-21-25(18(34)12-32(2,37)43-21)28(35)22(14)30(27)41-6/h7-11,35-37H,12H2,1-6H3
InChIKeyXQLGSHUQZMPBGG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Aurasperone E (CHEBI:169831) is a organic heterotricyclic compound (CHEBI:26979)
Aurasperone E (CHEBI:169831) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
10-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo[g]chromen-7-yl)-5-hydroxy-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one
Manual XrefsDatabases
163514ChemSpider
HMDB0033289HMDB
Registry NumbersSources
CAS:71722-01-5ChemIDplus