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CHEBI:191285 - (3S,4R,3'R)-4-Hydroxyalloxanthin

ChEBI IDCHEBI:191285
ChEBI Name(3S,4R,3'R)-4-Hydroxyalloxanthin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H52O3
Net Charge0
Average Mass580.853
Monoisotopic Mass580.39165
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
InChIInChI=1S/C40H52O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-20,34,37-38,41-43H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,28-15+,29-16+,30-19+,31-20+/t34-,37+,38-/m1/s1
InChIKeyUZPCBWJIJGGVKL-AECRWIKESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) hTERT-RPE1 cell (BTO:0004790) MetaboLights (MTBLS682)
ChEBI Ontology
Outgoing Relation(s)
(3S,4R,3'R)-4-Hydroxyalloxanthin (CHEBI:191285) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2R)-4-[(3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]-3,5,5-trimethylcyclohex-3-ene-1,2-diol
Manual XrefsDatabases
17220894ChemSpider
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