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CHEBI:7505 - Neoisostegane

ChEBI IDCHEBI:7505
ChEBI NameNeoisostegane
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC23H26O7
Net Charge0
Average Mass414.454
Monoisotopic Mass414.16785
SMILES[H][C@]12COC(=O)[C@]1([H])Cc1c(cc(OC)c(OC)c1OC)-c1cc(OC)c(OC)cc1C2
InChIInChI=1S/C23H26O7/c1-25-18-7-12-6-13-11-30-23(24)15(13)8-17-16(14(12)9-19(18)26-2)10-20(27-3)22(29-5)21(17)28-4/h7,9-10,13,15H,6,8,11H2,1-5H3/t13-,15+/m0/s1
InChIKeyUAFHDDGMOVOBAW-DZGCQCFKSA-N
ChEBI Ontology
Outgoing Relation(s)
Neoisostegane (CHEBI:7505) is a lactone (CHEBI:25000)
Neoisostegane (CHEBI:7505) is a lignan (CHEBI:25036)
Synonym  Source
NeoisosteganeKEGG COMPOUND
Manual XrefsDatabases
C10707KEGG COMPOUND
C00002613KNApSAcK
Registry NumbersSources
CAS:87084-98-8KEGG COMPOUND