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CHEBI:225999 - Coprinastatin 1

ChEBI IDCHEBI:225999
ChEBI NameCoprinastatin 1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O2
Net Charge0
Average Mass234.339
Monoisotopic Mass234.16198
SMILESC=C1[C@H](O)[C@H]2C[C@@](C)(CO)CC2=C(C)C12CC2
InChIInChI=1S/C15H22O2/c1-9-11-6-14(3,8-16)7-12(11)13(17)10(2)15(9)4-5-15/h12-13,16-17H,2,4-8H2,1,3H3/t12-,13-,14-/m0/s1
InChIKeyXUXXDJLUAMCRLH-IHRRRGAJSA-N
Species of MetaboliteComponentSourceComments
Coprinopsis cinerea (ncbitaxon:5346) - PubMed (19919060)
ChEBI Ontology
Outgoing Relation(s)
Coprinastatin 1 (CHEBI:225999) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(2R,3aS,4R)-2-(hydroxymethyl)-2,7-dimethyl-5-methylidenespiro[1,3,3a,4-tetrahydroindene-6,1'-cyclopropane]-4-ol
Manual XrefsDatabases
78438327ChemSpider