CHEBI:223706 - 4-O-methylneoilludin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4-O-methylneoilludin A
ChEBI ID CHEBI:223706
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H24O6
Net Charge 0
Average Mass 312.362
Monoisotopic Mass 312.15729
InChI InChI=1S/C16H24O6/c1-13(7-17)10(18)8-9(12(13)20)15(3,22-4)16(5-6-16)14(2,21)11(8)19/h10,12,17-18,20-21H,5-7H2,1-4H3/t10-,12-,13-,14+,15+/m1/s1
InChIKey AYADPYCRFCANCO-OLOXDWRXSA-N
SMILES O=C1C2=C([C@@](OC)(C)C3([C@]1(O)C)CC3)[C@@H](O)[C@@]([C@@H]2O)(CO)C
Metabolite of Species Details
Omphalotus japonicus (NCBI:txid72119) See: DOI
ChEBI Ontology
Outgoing 4-O-methylneoilludin A (CHEBI:223706) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(1S,2S,3S,5R,7S)-1,3,5-trihydroxy-2-(hydroxymethyl)-7-methoxy-2,5,7-trimethylspiro[1,3-dihydroindene-6,1'-cyclopropane]-4-one