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CHEBI:223643 - Salicylaldehydium B

ChEBI IDCHEBI:223643
ChEBI NameSalicylaldehydium B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O4
Net Charge0
Average Mass320.429
Monoisotopic Mass320.19876
SMILESCCCCCCCc1c(O)cc2c(c1C=O)OC(C)(C)[C@@H](O)C2
InChIInChI=1S/C19H28O4/c1-4-5-6-7-8-9-14-15(12-20)18-13(10-16(14)21)11-17(22)19(2,3)23-18/h10,12,17,21-22H,4-9,11H2,1-3H3/t17-/m0/s1
InChIKeyACVJCHNLGIYSNU-KRWDZBQOSA-N
Species of MetaboliteComponentSourceComments
Eurotiumspecies SCSIO F452 (ncbitaxon:1246140) - PubMed (33361799)
ChEBI Ontology
Outgoing Relation(s)
Salicylaldehydium B (CHEBI:223643) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(3S)-7-heptyl-3,6-dihydroxy-2,2-dimethyl-3,4-dihydrochromene-8-carbaldehyde
Manual XrefsDatabases
103847039ChemSpider