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CHEBI:225470 - [4-[(3S)-3-carboxyoxybutanoyl]oxy-2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] 3-methylcyclopent-3-ene-1-carboxylate
| Formula | C30H28O11 |
| Net Charge | 0 |
| Average Mass | 564.543 |
| Monoisotopic Mass | 564.16316 |
| SMILES | CC1=CCC(C(=O)Oc2c(O)c(-c3ccc(O)cc3)c(OC(=O)C[C@H](C)OC(=O)O)c(O)c2-c2ccc(O)cc2)C1 |
| InChI | InChI=1S/C30H28O11/c1-15-3-4-19(13-15)29(36)41-28-24(18-7-11-21(32)12-8-18)25(34)27(40-22(33)14-16(2)39-30(37)38)23(26(28)35)17-5-9-20(31)10-6-17/h3,5-12,16,19,31-32,34-35H,4,13-14H2,1-2H3,(H,37,38)/t16-,19?/m0/s1 |
| InChIKey | NODDHGHNRUGWRA-UCFFOFKASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sphingopyxis (ncbitaxon:165697) | - | PubMed (26601684) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [4-[(3S)-3-carboxyoxybutanoyl]oxy-2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] 3-methylcyclopent-3-ene-1-carboxylate (CHEBI:225470) is a para-terphenyl (CHEBI:75874) |
| IUPAC Name |
|---|
| [4-[(3S)-3-carboxyoxybutanoyl]oxy-2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] 3-methylcyclopent-3-ene-1-carboxylate |
| Manual Xrefs | Databases |
|---|---|
| 78441577 | ChemSpider |