CHEBI:185552 - 5-((3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaen-1-yl)resorcinol

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ChEBI Name 5-((3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaen-1-yl)resorcinol
ChEBI ID CHEBI:185552
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H36O2
Net Charge 0
Average Mass 392.583
Monoisotopic Mass 392.27153
InChI InChI=1S/C27H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h3-4,6-7,9-10,12-13,15-16,18-19,22-24,28-29H,2,5,8,11,14,17,20-21H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKey QWMMZXHJINOJSZ-KUBAVDMBSA-N
SMILES OC1=CC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=CC(O)=C1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 5-((3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaen-1-yl)resorcinol (CHEBI:185552) is a resorcinols (CHEBI:33572)
IUPAC Name
5-[(3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaenyl]benzene-1,3-diol
Manual Xrefs Databases
10473572 ChemSpider
LMPK15030038 LIPID MAPS
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