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CHEBI:225465 - [2,5-dihydroxy-4-[(3S)-3-hydroxybutanoyl]oxy-3,6-bis(4-hydroxyphenyl)phenyl] 3-methylcyclopent-3-ene-1-carboxylate

ChEBI IDCHEBI:225465
ChEBI Name[2,5-dihydroxy-4-[(3S)-3-hydroxybutanoyl]oxy-3,6-bis(4-hydroxyphenyl)phenyl] 3-methylcyclopent-3-ene-1-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H28O9
Net Charge0
Average Mass520.534
Monoisotopic Mass520.17333
SMILESCC1=CCC(C(=O)Oc2c(O)c(-c3ccc(O)cc3)c(OC(=O)C[C@H](C)O)c(O)c2-c2ccc(O)cc2)C1
InChIInChI=1S/C29H28O9/c1-15-3-4-19(13-15)29(36)38-28-24(18-7-11-21(32)12-8-18)25(34)27(37-22(33)14-16(2)30)23(26(28)35)17-5-9-20(31)10-6-17/h3,5-12,16,19,30-32,34-35H,4,13-14H2,1-2H3/t16-,19?/m0/s1
InChIKeyVVDOLPJEDSUPSQ-UCFFOFKASA-N
Species of MetaboliteComponentSourceComments
Sphingopyxis (ncbitaxon:165697) - PubMed (26601684)
ChEBI Ontology
Outgoing Relation(s)
[2,5-dihydroxy-4-[(3S)-3-hydroxybutanoyl]oxy-3,6-bis(4-hydroxyphenyl)phenyl] 3-methylcyclopent-3-ene-1-carboxylate (CHEBI:225465) is a para-terphenyl (CHEBI:75874)
IUPAC Name 
[2,5-dihydroxy-4-[(3S)-3-hydroxybutanoyl]oxy-3,6-bis(4-hydroxyphenyl)phenyl] 3-methylcyclopent-3-ene-1-carboxylate
Manual XrefsDatabases
78441576ChemSpider