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CHEBI:182351 - Tomasin

ChEBI IDCHEBI:182351
ChEBI NameTomasin
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FormulaC21H22O7
Net Charge0
Average Mass386.400
Monoisotopic Mass386.13655
SMILESC/C=C(/C)C(=O)OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12
InChIInChI=1S/C21H22O7/c1-5-12(2)20(24)28-21(3,4)15(22)11-26-19-17-14(8-9-25-17)10-13-6-7-16(23)27-18(13)19/h5-10,15,22H,11H2,1-4H3/b12-5-
InChIKeyQPQHCRKTYXPSQG-XGICHPGQSA-N
ChEBI Ontology
Outgoing Relation(s)
Tomasin (CHEBI:182351) is a psoralens (CHEBI:26369)
IUPAC Name 
[3-hydroxy-2-methyl-4-(7-oxouro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate
Manual XrefsDatabases
23550790ChemSpider