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CHEBI:200430 - Neoilludin B

ChEBI IDCHEBI:200430
ChEBI NameNeoilludin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O6
Net Charge0
Average Mass298.335
Monoisotopic Mass298.14164
SMILESC[C@]1(CO)[C@H](O)C2=C(C(=O)[C@@](C)(O)C3(CC3)[C@@]2(C)O)[C@@H]1O
InChIInChI=1S/C15H22O6/c1-12(6-16)9(17)7-8(11(12)19)13(2,20)15(4-5-15)14(3,21)10(7)18/h9,11,16-17,19-21H,4-6H2,1-3H3/t9-,11+,12+,13-,14+/m0/s1
InChIKeyICXBWQYPMZJOAM-QIWZIZFYSA-N
Species of MetaboliteComponentSourceComments
Omphalotus japonicus (ncbitaxon:72119) - DOI (10.1246/cl.1999.1113)
ChEBI Ontology
Outgoing Relation(s)
Neoilludin B (CHEBI:200430) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1S,2S,3R,5S,7S)-1,3,5,7-tetrahydroxy-2-(hydroxymethyl)-2,5,7-trimethylspiro[1,3-dihydroindene-6,1'-cyclopropane]-4-one
Manual XrefsDatabases
8170420ChemSpider