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CHEBI:186920 - Mulberrofuran Q

ChEBI IDCHEBI:186920
ChEBI NameMulberrofuran Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H24O10
Net Charge0
Average Mass592.556
Monoisotopic Mass592.13695
SMILESCC12CC(c3ccc(O)cc3O1)C13OC1(c1ccc(O)cc1O)Oc1cc(-c4cc5ccc(O)cc5o4)cc(O)c1C3C2=O
InChIInChI=1S/C34H24O10/c1-32-14-22(20-6-4-19(37)13-27(20)42-32)33-30(31(32)40)29-24(39)8-16(25-9-15-2-3-18(36)12-26(15)41-25)10-28(29)43-34(33,44-33)21-7-5-17(35)11-23(21)38/h2-13,22,30,35-39H,14H2,1H3
InChIKeyMSVXRBNAPJJEDX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Mulberrofuran Q (CHEBI:186920) is a benzofurans (CHEBI:35259)
IUPAC Name 
4-(2,4-dihydroxyphenyl)-10,18-dihydroxy-8-(6-hydroxy-1-benzouran-2-yl)-14-methyl-3,5,15-trioxahexacyclo[12.7.1.02,4.02,12.06,11.016,21]docosa-6,8,10,16(21),17,19-hexaen-13-one
Manual XrefsDatabases
HMDB0036637HMDB
4478126ChemSpider