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CHEBI:172613 - Mollicellin A

ChEBI IDCHEBI:172613
ChEBI NameMollicellin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O7
Net Charge0
Average Mass382.368
Monoisotopic Mass382.10525
SMILESCc1cc(O)c(C=O)c2c1C(=O)Oc1cc3c(c(C)c1O2)C(=O)CC(C)(C)O3
InChIInChI=1S/C21H18O7/c1-9-5-12(23)11(8-22)19-16(9)20(25)26-15-6-14-17(10(2)18(15)27-19)13(24)7-21(3,4)28-14/h5-6,8,23H,7H2,1-4H3
InChIKeyUGFXPOLXTFFCRX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Mollicellin A (CHEBI:172613) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
8-hydroxy-2,2,5,10-tetramethyl-4,11-dioxo-3H-chromeno[6,7-b][1,4]benzodioxepine-7-carbaldehyde
Manual XrefsDatabases
134710ChemSpider
HMDB0033339HMDB
Registry NumbersSources
CAS:68455-06-1ChemIDplus