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CHEBI:219608 - Ustusolate E

ChEBI IDCHEBI:219608
ChEBI NameUstusolate E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O6
Net Charge0
Average Mass374.433
Monoisotopic Mass374.17294
SMILESCC1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)/C=C/C=C/C=O)C=C1COC(=O)[C@@]12O
InChIInChI=1S/C21H26O6/c1-19(2)9-7-10-20(3)17(19)15(27-16(23)8-5-4-6-11-22)12-14-13-26-18(24)21(14,20)25/h4-6,8,11-12,15,17,25H,7,9-10,13H2,1-3H3/b6-4+,8-5+/t15-,17+,20+,21+/m1/s1
InChIKeyNTEIYTQTTHYBTI-BEFOBABASA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (19769341)
ChEBI Ontology
Outgoing Relation(s)
Ustusolate E (CHEBI:219608) 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-oxohexa-2,4-dienoate
Manual XrefsDatabases
24679370ChemSpider