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Paeonolide

PropertiesImageOccurences in reactions
MNX_IDMNXM67478Image of MNXM67478
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC20H28O12
charge0
mass460.15808
referencechebi:7891
InChIKeyIDZZECHGWAZTIB-NYBIBFQCSA-N
InChIInChI=1S/C20H28O12/c1-8(21)10-4-3-9(28-2)5-12(10)31-20-18(27)16(25)15(24)13(32-20)7-30-19-17(26)14(23)11(22)6-29-19/h3-5,11,13-20,22-27H,6-7H2,1-2H3/t11-,13+,14-,15+,16-,17+,18+,19-,20+/m0/s1
SMILESCOc1ccc(C(C)=O)c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
seed.compound:cpd07601
seedM:cpd07601
CHEBI:7891
chebi:7891
kegg.compound:C10715
keggC:C10715
Paeonolide
keggC:M_C10715
seedM:M_cpd07601
secondary/obsolete/fantasy identifier