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CHEBI:221807 - Ustusolate B

ChEBI IDCHEBI:221807
ChEBI NameUstusolate B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O6
Net Charge0
Average Mass430.541
Monoisotopic Mass430.23554
SMILESCC(O)C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12
InChIInChI=1S/C25H34O6/c1-17(26)11-8-6-5-7-9-12-20(27)31-19-15-18-16-30-22(28)25(18,29)24(4)14-10-13-23(2,3)21(19)24/h5-9,12,15,17,19,21,26,29H,10-11,13-14,16H2,1-4H3/b7-5+,8-6+,12-9+/t17?,19-,21+,24+,25+/m1/s1
InChIKeyZHQUHDHFPDBIHU-OMNMLEGNSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (19769341)
ChEBI Ontology
Outgoing Relation(s)
Ustusolate B (CHEBI:221807) 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,6E)-9-hydroxydeca-2,4,6-trienoate
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27024412ChemSpider