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Aquifoliunine EIV

PropertiesImageOccurences in reactions
MNX_IDMNXM119271Image of MNXM119271
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC42H48N2O18
charge0
mass868.29021
referencehmdb:HMDB0033579
InChIKeyWYGMSWSZNDHDMQ-UHFFFAOYSA-N
InChIInChI=1S/C42H48N2O18/c1-19-20(2)36(50)61-33-31(56-22(4)46)35(59-25(7)49)41(18-54-21(3)45)34(58-24(6)48)30(60-37(51)26-12-10-14-43-16-26)28-32(57-23(5)47)42(41,40(33,9)53)62-39(28,8)17-55-38(52)27-13-11-15-44-29(19)27/h10-16,19-20,28,30-35,53H,17-18H2,1-9H3
SMILESCC(=O)OCC12C(OC(C)=O)C(OC(=O)c3cccnc3)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O
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 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0033579 Aquifoliunine EIV
18,19,21,24-Tetrakis(acetyloxy)-20-[(acetyloxy)methyl]-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7(12),8,10-trien-22-yl pyridine-3-carboxylic acid
18,19,21,24-tetrakis(acetyloxy)-20-[(acetyloxy)methyl]-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7(12),8,10-trien-22-yl pyridine-3-carboxylate
Aquifoliunine e-IV
hmdb:HMDB33579 secondary/obsolete/fantasy identifier