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CHEBI:184129 - Pyrrhoxanthinol

ChEBI IDCHEBI:184129
ChEBI NamePyrrhoxanthinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H46O5
Net Charge0
Average Mass570.770
Monoisotopic Mass570.33452
SMILESCC1=C(C#C/C(C)=C/C=C/C=C\C=C(C)\C=C2\C=C(/C=C/C34OC3(C)CC(O)CC4(C)C)C(=O)O2)C(C)(C)CC(O)C1
InChIInChI=1S/C37H46O5/c1-25(15-16-32-27(3)20-29(38)22-34(32,4)5)13-11-9-10-12-14-26(2)19-31-21-28(33(40)41-31)17-18-37-35(6,7)23-30(39)24-36(37,8)42-37/h9-14,17-19,21,29-30,38-39H,20,22-24H2,1-8H3/b11-9+,12-10-,18-17+,25-13+,26-14+,31-19-
InChIKeyJPHOIGCQEIPBBI-IEMCOIITSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
ChEBI Ontology
Outgoing Relation(s)
Pyrrhoxanthinol (CHEBI:184129) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(5Z)-5-[(2E,4Z,6E,8E)-11-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-2,9-dimethylundeca-2,4,6,8-tetraen-10-ynylidene]-3-[(E)-2-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)ethenyl]uran-2-one
Manual XrefsDatabases
35013998ChemSpider
HMDB0035696HMDB