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CHEBI:190283 - Sanggenon E

ChEBI IDCHEBI:190283
ChEBI NameSanggenon E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H44O12
Net Charge0
Average Mass776.835
Monoisotopic Mass776.28328
SMILES[H][C@@]1(c2c(O)cc3c(c2O)C(=O)[C@]2(O)Oc4cc(O)ccc4[C@]2(CC=C(C)C)O3)C=C(C)C[C@]([H])(c2ccc(O)cc2O)[C@H]1C(=O)c1ccc(O)c(CC=C(C)C)c1O
InChIInChI=1S/C45H44O12/c1-21(2)6-9-27-32(48)13-11-28(40(27)51)41(52)37-29(26-10-7-24(46)18-33(26)49)16-23(5)17-30(37)38-34(50)20-36-39(42(38)53)43(54)45(55)44(56-36,15-14-22(3)4)31-12-8-25(47)19-35(31)57-45/h6-8,10-14,17-20,29-30,37,46-51,53,55H,9,15-16H2,1-5H3/t29-,30-,37-,44+,45+/m1/s1
InChIKeyQVHFFSLHYOWTJT-KDJZGPCZSA-N
Species of MetaboliteComponentSourceComments
Synechococcus elongatus PCC 7942 (ncbitaxon:32046) cell culture (BTO:0000214) MetaboLights (MTBLS2825)
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)
Sanggenon E (CHEBI:190283) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
(5aS,10aR)-2-[(1R,5S,6R)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-enyl)-[1]benzouro[3,2-b]chromen-11-one