CHEBI:183929 - Methyl 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate

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ChEBI Name Methyl 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate
ChEBI ID CHEBI:183929
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H34O8
Net Charge 0
Average Mass 522.594
Monoisotopic Mass 522.22537
InChI InChI=1S/C30H34O8/c1-17(2)7-10-20-13-19(9-12-23(20)31)16-30(29(35)37-6)25(27(36-5)28(34)38-30)22-14-21(11-8-18(3)4)26(33)24(32)15-22/h7-9,12-15,31-33H,10-11,16H2,1-6H3
InChIKey LARSXHUKWMVHRB-UHFFFAOYSA-N
SMILES O1C(CC2=CC(=C(O)C=C2)CC=C(C)C)(C(C3=CC(=C(O)C(O)=C3)CC=C(C)C)=C(OC)C1=O)C(OC)=O
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 Methyl 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate (CHEBI:183929) is a catechols (CHEBI:33566)
IUPAC Name
methyl 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxouran-2-carboxylate
Manual Xref Database
22369807 ChemSpider
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