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CHEBI:198124 - Sequoiamonascin B

ChEBI IDCHEBI:198124
ChEBI NameSequoiamonascin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O7
Net Charge0
Average Mass418.486
Monoisotopic Mass418.19915
SMILESCCCCCCCC(O)[C@H]1C(=O)O[C@@]2(C)C(=O)C3=C(C[C@H]12)C[C@]1(C=CC(=O)O1)OC3
InChIInChI=1S/C23H30O7/c1-3-4-5-6-7-8-17(24)19-16-11-14-12-23(10-9-18(25)29-23)28-13-15(14)20(26)22(16,2)30-21(19)27/h9-10,16-17,19,24H,3-8,11-13H2,1-2H3/t16-,17?,19+,22-,23-/m1/s1
InChIKeyIWTQEDJIBDRKRZ-OYFJEQRESA-N
Species of MetaboliteComponentSourceComments
Aspergillus parasiticus (ncbitaxon:5067) - PubMed (12790612)
ChEBI Ontology
Outgoing Relation(s)
Sequoiamonascin B (CHEBI:198124) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(3S,3aR,6S,9aR)-3-(1-hydroxyoctyl)-9a-methylspiro[3a,4,5,8-tetrahydro-3H-uro[3,2-g]isochromene-6,5'-uran]-2,2',9-trione
Manual XrefsDatabases
8223183ChemSpider