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CHEBI:210696 - Sclerodione

ChEBI IDCHEBI:210696
ChEBI NameSclerodione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H16O5
Net Charge0
Average Mass312.321
Monoisotopic Mass312.09977
SMILESCc1cc(O)c2c3c(c(O)c4c(c13)O[C@@H](C)C4(C)C)C(=O)C2=O
InChIInChI=1S/C18H16O5/c1-6-5-8(19)10-11-9(6)17-13(18(3,4)7(2)23-17)14(20)12(11)16(22)15(10)21/h5,7,19-20H,1-4H3/t7-/m0/s1
InChIKeyNHLBJUZHBDCHJJ-ZETCQYMHSA-N
Species of MetaboliteComponentSourceComments
Gremmeniella abietina (ncbitaxon:127520) - DOI (10.1139/v86-262)
ChEBI Ontology
Outgoing Relation(s)
Sclerodione (CHEBI:210696) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(4S)-7,12-dihydroxy-4,5,5,14-tetramethyl-3-oxatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),7,11,13-pentaene-9,10-dione
Manual XrefsDatabases
68026979ChemSpider