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CHEBI:176155 - Hydratopyrrhoxanthinol

ChEBI IDCHEBI:176155
ChEBI NameHydratopyrrhoxanthinol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H48O6
Net Charge0
Average Mass588.785
Monoisotopic Mass588.34509
SMILESCC1=C(C#C/C(C)=C\C=C\C=C/C=C(C)/C=C2\C=C(/C=C/C3(O)C(C)(C)CC(O)CC3(C)O)C(=O)O2)C(C)(C)CC(O)C1
InChIInChI=1S/C37H48O6/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)43-31)17-18-37(42)35(6,7)23-30(39)24-36(37,8)41/h9-14,17-19,21,29-30,38-39,41-42H,20,22-24H2,1-8H3/b11-9+,12-10-,18-17+,25-13-,26-14+,31-19+
InChIKeyNKLWCOIOKXMOKC-FSEXIHCTSA-N
ChEBI Ontology
Outgoing Relation(s)
Hydratopyrrhoxanthinol (CHEBI:176155) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(5E)-5-[(2E,4Z,6E,8Z)-11-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-2,9-dimethylundeca-2,4,6,8-tetraen-10-ynylidene]-3-[(E)-2-(1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl)ethenyl]uran-2-one
Manual XrefsDatabases
35014272ChemSpider
HMDB0036842HMDB