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CHEBI:216273 - Sequoiamonascin C

ChEBI IDCHEBI:216273
ChEBI NameSequoiamonascin C
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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(/C=C/C(=O)O)OC3)C[C@H]12
InChIInChI=1S/C23H30O7/c1-3-4-5-6-7-8-18(24)20-17-12-14-11-15(9-10-19(25)26)29-13-16(14)21(27)23(17,2)30-22(20)28/h9-11,17-18,20,24H,3-8,12-13H2,1-2H3,(H,25,26)/b10-9+/t17-,18?,20+,23-/m1/s1
InChIKeyWVBMAOWTMDWQTR-HHTCMYIUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus parasiticus (ncbitaxon:5067) - PubMed (12790612)
ChEBI Ontology
Outgoing Relation(s)
Sequoiamonascin C (CHEBI:216273) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(E)-3-[(3S,3aR,9aR)-3-(1-hydroxyoctyl)-9a-methyl-2,9-dioxo-3,3a,4,8-tetrahydrouro[3,2-g]isochromen-6-yl]prop-2-enoic acid
Manual XrefsDatabases
9135950ChemSpider