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CHEBI:209790 - Deoxyscytalidin

ChEBI IDCHEBI:209790
ChEBI NameDeoxyscytalidin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O6
Net Charge0
Average Mass388.460
Monoisotopic Mass388.18859
SMILESCCCCCC1CC2=C(CC(CCCC)CC3=C1C(=O)OC3=O)C(=O)OC2=O
InChIInChI=1S/C22H28O6/c1-3-5-7-9-14-12-16-15(19(23)27-20(16)24)10-13(8-6-4-2)11-17-18(14)22(26)28-21(17)25/h13-14H,3-12H2,1-2H3
InChIKeyFGSDEDSOCRDMOJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Scytalidium album (ncbitaxon:1525810) - DOI (10.1021/np50100a029)
ChEBI Ontology
Outgoing Relation(s)
Deoxyscytalidin (CHEBI:209790) has functional parent tetracarboxylic acid (CHEBI:35742)
Deoxyscytalidin (CHEBI:209790) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
10-butyl-2-pentyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone
Manual XrefsDatabases
78434846ChemSpider