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Paspalinine

MNXM147265 is deprecated and replaced by MNXM1100335
PropertiesImageOccurences in reactions
MNX_IDMNXM1100335Image of MNXM1100335
#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
formulaC27H31NO4
charge0
mass433.22531
referencechebi:138862
InChIKeyBPTIXFRJAOKMRK-SAMRHTEJSA-N
InChIInChI=1S/C27H31NO4/c1-23(2)22-19(29)14-20-26(30)10-9-15-13-17-16-7-5-6-8-18(16)28-21(17)25(15,4)24(26,3)11-12-27(20,31-22)32-23/h5-8,14-15,22,28,30H,9-13H2,1-4H3/t15-,22-,24+,25+,26+,27-/m0/s1
SMILESCC1(C)O[C@@]23CC[C@@]4(C)[C@@](O)(CC[C@H]5Cc6c([nH]c7ccccc67)[C@@]54C)C2=CC(=O)[C@@H]1O3
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:138862
chebi:138862 		Paspalinine
C20554
kegg.compound:C20554
keggC:C20554 		Paspalinine
seed.compound:cpd31188
seedM:cpd31188 		Paspalinine
paspalinine
metacyc.compound:CPD-16962
metacycM:CPD-16962 		paspalinine
keggC:M_C20554
seedM:M_cpd31188 		secondary/obsolete/fantasy identifier