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6'-HMG SDG

PropertiesImageOccurences in reactions
MNX_IDMNXM118329Image of MNXM118329
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC38H54O20
charge0
mass830.32084
referencehmdb:HMDB0040282
InChIKeyVGZBSVLZAQPYAD-UHFFFAOYSA-N
InChIInChI=1S/C38H54O20/c1-38(51,12-28(42)43)13-29(44)54-17-27-31(46)33(48)35(50)37(58-27)56-16-21(9-19-5-7-23(41)25(11-19)53-3)20(8-18-4-6-22(40)24(10-18)52-2)15-55-36-34(49)32(47)30(45)26(14-39)57-36/h4-7,10-11,20-21,26-27,30-37,39-41,45-51H,8-9,12-17H2,1-3H3,(H,42,43)
SMILESCOc1cc(CC(COC2OC(CO)C(O)C(O)C2O)C(COC2OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C2O)Cc2ccc(O)c(OC)c2)ccc1O
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Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0040282 6'-HMG SDG
5-[(6-{2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butoxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxopentanoate
5-[(6-{2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butoxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
hmdb:HMDB40282 secondary/obsolete/fantasy identifier