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CHEBI:223900 - Nostotrebin 7

ChEBI IDCHEBI:223900
ChEBI NameNostotrebin 7
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H38O11
Net Charge0
Average Mass814.843
Monoisotopic Mass814.24141
SMILESO=C1C(Cc2ccc(O)cc2)=C(Cc2ccc(O)cc2)C(=O)C1(c1ccc(O)cc1)[C@]1(c2ccc(O)cc2)C(=O)C(Cc2ccc(O)cc2)=C(Cc2ccc(O)cc2O)C1=O
InChIInChI=1S/C50H38O11/c51-34-12-1-28(2-13-34)23-40-41(24-29-3-14-35(52)15-4-29)46(59)49(45(40)58,32-8-19-37(54)20-9-32)50(33-10-21-38(55)22-11-33)47(60)42(25-30-5-16-36(53)17-6-30)43(48(50)61)26-31-7-18-39(56)27-44(31)57/h1-22,27,51-57H,23-26H2/t50-/m1/s1
InChIKeyRLVXRRBFCACGMY-VCZQVZGSSA-N
Species of MetaboliteComponentSourceComments
Nostoc (ncbitaxon:1177) - PubMed (31977209)
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)
Nostotrebin 7 (CHEBI:223900) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
2-[3-[(2,4-dihydroxyphenyl)methyl]-1-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]-2,5-dioxocyclopent-3-en-1-yl]-2-(4-hydroxyphenyl)-4,5-bis[(4-hydroxyphenyl)methyl]cyclopent-4-ene-1,3-dione