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CHEBI:223637 - Salicylaldehydium A

ChEBI IDCHEBI:223637
ChEBI NameSalicylaldehydium A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O5
Net Charge0
Average Mass336.428
Monoisotopic Mass336.19367
SMILESCCCCCCCc1c(O)cc2c(c1C=O)OC(C)(C)[C@@H](O)[C@@H]2O
InChIInChI=1S/C19H28O5/c1-4-5-6-7-8-9-12-14(11-20)17-13(10-15(12)21)16(22)18(23)19(2,3)24-17/h10-11,16,18,21-23H,4-9H2,1-3H3/t16-,18+/m1/s1
InChIKeyXUOQQCGDNZKXRP-AEFFLSMTSA-N
Species of MetaboliteComponentSourceComments
Eurotiumspecies SCSIO F452 (ncbitaxon:1246140) - PubMed (33361799)
ChEBI Ontology
Outgoing Relation(s)
Salicylaldehydium A (CHEBI:223637) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(3S,4R)-7-heptyl-3,4,6-trihydroxy-2,2-dimethyl-3,4-dihydrochromene-8-carbaldehyde
Manual XrefsDatabases
103847037ChemSpider