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CHEBI:220532 - Sabetaafrin D

ChEBI IDCHEBI:220532
ChEBI NameSabetaafrin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O8
Net Charge0
Average Mass484.545
Monoisotopic Mass484.20972
SMILESCCC(C)/C=C/C=C/C(=O)c1cc2c(c(C(=O)OC)c1O)C(C)(O)C(=O)C=C2CC(=O)CC(C)O
InChIInChI=1S/C27H32O8/c1-6-15(2)9-7-8-10-21(30)20-14-19-17(12-18(29)11-16(3)28)13-22(31)27(4,34)24(19)23(25(20)32)26(33)35-5/h7-10,13-16,28,32,34H,6,11-12H2,1-5H3/b9-7+,10-8+
InChIKeyBFBRJLMAZLFBHK-FIFLTTCUSA-N
Species of MetaboliteComponentSourceComments
Creosphaeria sassafras (ncbitaxon:110550) - DOI (10.1016/j.tet.2004.12.031)
ChEBI Ontology
Outgoing Relation(s)
Sabetaafrin D (CHEBI:220532) is a carbonyl compound (CHEBI:36586)
Sabetaafrin D (CHEBI:220532) is a naphthalenes (CHEBI:25477)
IUPAC Name 
methyl 2,8-dihydroxy-5-(4-hydroxy-2-oxopentyl)-8-methyl-3-[(2E,4E)-6-methylocta-2,4-dienoyl]-7-oxonaphthalene-1-carboxylate
Manual XrefsDatabases
9481230ChemSpider