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CHEBI:208639 - Difurebin B

ChEBI IDCHEBI:208639
ChEBI NameDifurebin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O6
Net Charge0
Average Mass332.352
Monoisotopic Mass332.12599
SMILESCC1=C(C)[C@]2(C)C(=O)[C@](O)(C1=O)[C@]1(C)C(=O)[C@@]2(O)C(=O)C(C)=C1C
InChIInChI=1S/C18H20O6/c1-7-9(3)15(5)13(21)17(23,11(7)19)16(6)10(4)8(2)12(20)18(15,24)14(16)22/h23-24H,1-6H3/t15-,16+,17-,18+
InChIKeyXAUDMBFOZPLRIC-USTZCAOPSA-N
Species of MetaboliteComponentSourceComments
Mycosphaerella (ncbitaxon:41254) - PubMed (31434338)
ChEBI Ontology
Outgoing Relation(s)
Difurebin B (CHEBI:208639) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,2R,6S,7S)-2,7-dihydroxy-1,4,5,6,9,10-hexamethyltricyclo[5.3.1.12,6]dodeca-4,9-diene-3,8,11,12-tetrone
Manual XrefsDatabases
81363762ChemSpider