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CHEBI:214009 - Ustusolate D

ChEBI IDCHEBI:214009
ChEBI NameUstusolate D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32O7
Net Charge0
Average Mass420.502
Monoisotopic Mass420.21480
SMILESCOC(/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12)OC
InChIInChI=1S/C23H32O7/c1-21(2)11-8-12-22(3)19(21)16(13-15-14-29-20(25)23(15,22)26)30-17(24)9-6-7-10-18(27-4)28-5/h6-7,9-10,13,16,18-19,26H,8,11-12,14H2,1-5H3/b9-6+,10-7+/t16-,19+,22+,23+/m1/s1
InChIKeyIHLICQZFMFYTOA-ODJYOQRJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (19769341)
ChEBI Ontology
Outgoing Relation(s)
Ustusolate D (CHEBI:214009) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzouran-5-yl] (2E,4E)-6,6-dimethoxyhexa-2,4-dienoate
Manual XrefsDatabases
24672713ChemSpider