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(+/-)-Bocconarborine B

PropertiesImageOccurences in reactions
MNX_IDMNXM30207Image of MNXM30207
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC44H36N2O9
charge0
mass736.24208
referencechebi:31024
InChIKeyMQZDOSAHCDNWQT-LQJZCPKCSA-N
InChIInChI=1S/C44H36N2O9/c1-45-32(31-18-40-39(54-21-55-40)17-30(31)27-8-6-23-12-36-38(53-20-51-36)16-29(23)43(27)45)13-24(47)14-33-41-25(9-10-34(48-3)44(41)49-4)26-7-5-22-11-35-37(52-19-50-35)15-28(22)42(26)46(33)2/h5-12,15-18,32-33H,13-14,19-21H2,1-4H3/t32-,33-/m0/s1
SMILESCOc1ccc2c(c1OC)[C@H](CC(=O)C[C@H]1c3cc4c(cc3-c3ccc5cc6c(cc5c3N1C)OCO6)OCO4)N(C)c1c-2ccc2cc3c(cc12)OCO3
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
seed.compound:cpd08977
seedM:cpd08977
CHEBI:31024
chebi:31024
kegg.compound:C12197
keggC:C12197
(+/-)-Bocconarborine B
keggC:M_C12197
seedM:M_cpd08977
secondary/obsolete/fantasy identifier