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CHEBI:201733 - Spirolaxine

ChEBI IDCHEBI:201733
ChEBI NameSpirolaxine
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SubmitterMetaboLights
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FormulaC23H32O6
Net Charge0
Average Mass404.503
Monoisotopic Mass404.21989
SMILESCOc1cc(O)cc2c1C(=O)OC2CCCCCC1CCCC2(CCC(C)O2)O1
InChIInChI=1S/C23H32O6/c1-15-10-12-23(28-15)11-6-8-17(29-23)7-4-3-5-9-19-18-13-16(24)14-20(26-2)21(18)22(25)27-19/h13-15,17,19,24H,3-12H2,1-2H3
InChIKeyCZIMFHQXGMXDMO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Spirolaxine (CHEBI:201733) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3R)-5-hydroxy-7-methoxy-3-[5-[(2R,5R,7R)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]pentyl]-3H-2-benzouran-1-one
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9363979ChemSpider