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CHEBI:192400 - 3,4-Dihydroxyrottlerin

ChEBI IDCHEBI:192400
ChEBI Name3,4-Dihydroxyrottlerin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H28O10
Net Charge0
Average Mass548.544
Monoisotopic Mass548.16825
SMILESCC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3c(c(C(=O)/C=C/c4ccc(O)c(O)c4)c2O)OC(C)(C)C=C3)c1O
InChIInChI=1S/C30H28O10/c1-13-24(35)17(27(38)22(14(2)31)25(13)36)12-18-26(37)16-9-10-30(3,4)40-29(16)23(28(18)39)20(33)8-6-15-5-7-19(32)21(34)11-15/h5-11,32,34-39H,12H2,1-4H3/b8-6+
InChIKeyLXWIYZXWHIMUOX-SOFGYWHQSA-N
Species of MetaboliteComponentSourceComments
Pinus radiata (ncbitaxon:3347) leaf (BTO:0000713) MetaboLights (MTBLS4567)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
3,4-Dihydroxyrottlerin (CHEBI:192400) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
(E)-1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
Manual XrefsDatabases
4475800ChemSpider
LMPK12120269LIPID MAPS