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CHEBI:175760 - Lansiumarin B

ChEBI IDCHEBI:175760
ChEBI NameLansiumarin B
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SubmitterMetaboLights
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FormulaC21H22O6
Net Charge0
Average Mass370.401
Monoisotopic Mass370.14164
SMILESC/C(=C\COc1c2occc2cc2ccc(=O)oc12)C/C=C/C(C)(C)OO
InChIInChI=1S/C21H22O6/c1-14(5-4-10-21(2,3)27-23)8-11-25-20-18-16(9-12-24-18)13-15-6-7-17(22)26-19(15)20/h4,6-10,12-13,23H,5,11H2,1-3H3/b10-4+,14-8+
InChIKeyNNZMYFZCHMIZMN-OVXNXNIRSA-N
ChEBI Ontology
Outgoing Relation(s)
Lansiumarin B (CHEBI:175760) is a psoralens (CHEBI:26369)
IUPAC Name 
9-[(2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-dienoxy]uro[3,2-g]chromen-7-one
Manual XrefsDatabases
HMDB0034836HMDB
8674787ChemSpider