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CHEBI:185779 - 4-Keto-4'-hydroxyalloxanthin

ChEBI IDCHEBI:185779
ChEBI Name4-Keto-4'-hydroxyalloxanthin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H50O4
Net Charge0
Average Mass594.836
Monoisotopic Mass594.37091
SMILESCC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)[C@H](O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O
InChIInChI=1S/C40H50O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-20,35-37,41-43H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,27-15+,28-16+,29-19+,30-20+/t35-,36-,37-/m0/s1
InChIKeyLXUQYKJMQWQSFH-XZLXBTOFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
4-Keto-4'-hydroxyalloxanthin (CHEBI:185779) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(6S)-3-[(3E,5E,7E,9E,11E,13E,15E)-18-[(3S,4S)-3,4-dihydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]-6-hydroxy-2,4,4-trimethylcyclohex-2-en-1-one
Manual XrefsDatabases
24823150ChemSpider
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