CHEBI:183847 - 1-[2,4,6-trihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-chromen-4-yl]phenyl]dodecan-1-one

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ChEBI Name 1-[2,4,6-trihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-chromen-4-yl]phenyl]dodecan-1-one
ChEBI ID CHEBI:183847
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H40O7
Net Charge 0
Average Mass 548.676
Monoisotopic Mass 548.27740
InChI InChI=1S/C33H40O7/c1-2-3-4-5-6-7-8-9-10-11-26(36)32-28(38)20-27(37)31(33(32)39)25-19-29(21-12-14-22(34)15-13-21)40-30-18-23(35)16-17-24(25)30/h12-18,20,25,29,34-35,37-39H,2-11,19H2,1H3
InChIKey JGXZVDAPLSTBGZ-UHFFFAOYSA-N
SMILES O1C(CC(C2=C1C=C(O)C=C2)C3=C(O)C(C(=O)CCCCCCCCCCC)=C(O)C=C3O)C4=CC=C(O)C=C4
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 1-[2,4,6-trihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-chromen-4-yl]phenyl]dodecan-1-one (CHEBI:183847) is a hydroxyflavonoid (CHEBI:71968)
IUPAC Name
1-[2,4,6-trihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one
Manual Xref Database
116634 ChemSpider
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Registry Number Type Source
137130-31-5 CAS Registry Number ChemIDplus