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CHEBI:219533 - Nigrospoxydon A

ChEBI IDCHEBI:219533
ChEBI NameNigrospoxydon A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O8
Net Charge0
Average Mass420.458
Monoisotopic Mass420.17842
SMILESCC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O[C@H]1C(=O)C(CO)=C[C@@H](O)[C@@H]1O
InChIInChI=1S/C22H28O8/c1-12(5-6-22(29)13(2)8-15(24)10-21(22,3)4)7-17(26)30-20-18(27)14(11-23)9-16(25)19(20)28/h5-9,16,19-20,23,25,28-29H,10-11H2,1-4H3/b6-5+,12-7-/t16-,19+,20+,22-/m1/s1
InChIKeyDMBDZHVALRXOEF-OQNJJOTNSA-N
Species of MetaboliteComponentSourceComments
Nigrospora (ncbitaxon:114230) - PubMed (18646829)
ChEBI Ontology
Outgoing Relation(s)
Nigrospoxydon A (CHEBI:219533) is a apo carotenoid sesquiterpenoid (CHEBI:36758)
IUPAC Name 
[(1R,5R,6S)-5,6-dihydroxy-3-(hydroxymethyl)-2-oxocyclohex-3-en-1-yl] (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoate
Manual XrefsDatabases
24720733ChemSpider