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CHEBI:180787 - Mulberrofuran T

ChEBI IDCHEBI:180787
ChEBI NameMulberrofuran T
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H44O9
Net Charge0
Average Mass716.827
Monoisotopic Mass716.29853
SMILESCC(C)=CCc1c(O)ccc(C(=O)C2C(c3c(O)cc(-c4cc5ccc(O)c(CC=C(C)C)c5o4)cc3O)C=C(C)CC2c2ccc(O)cc2O)c1O
InChIInChI=1S/C44H44O9/c1-22(2)6-10-29-34(46)15-13-31(42(29)51)43(52)40-32(28-12-9-27(45)21-36(28)48)16-24(5)17-33(40)41-37(49)18-26(19-38(41)50)39-20-25-8-14-35(47)30(44(25)53-39)11-7-23(3)4/h6-9,12-15,17-21,32-33,40,45-51H,10-11,16H2,1-5H3
InChIKeyXMXZFZDVDCIFKB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
Mulberrofuran T (CHEBI:180787) is a benzofurans (CHEBI:35259)
IUPAC Name 
[2-[2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-enyl)-1-benzouran-2-yl]phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone
Manual XrefsDatabases
35014051ChemSpider
HMDB0035940HMDB