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CHEBI:224701 - Cylindrol B

ChEBI IDCHEBI:224701
ChEBI NameCylindrol B
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SubmitterMetaboLights
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FormulaC23H30O4
Net Charge0
Average Mass370.489
Monoisotopic Mass370.21441
SMILESCC(/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)=C\Cc1c(O)cc(C)c(C=O)c1O
InChIInChI=1S/C23H30O4/c1-14(10-11-23(5)16(3)7-9-20(25)17(23)4)6-8-18-21(26)12-15(2)19(13-24)22(18)27/h6,10-13,16-17,26-27H,7-9H2,1-5H3/b11-10+,14-6+/t16-,17+,23+/m1/s1
InChIKeyAQCKKGIVKOHRLM-HBFAXEOFSA-N
Species of MetaboliteComponentSourceComments
Cylindrocarpon lucidum (ncbitaxon:301100) - PubMed (11667727)
ChEBI Ontology
Outgoing Relation(s)
Cylindrol B (CHEBI:224701) is a hydroxybenzaldehyde (CHEBI:24673)
IUPAC Name 
2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde
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8083063ChemSpider