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Melilotoside C

PropertiesImageOccurences in reactions
MNX_IDMNXM127765Image of MNXM127765
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC47H78O16
charge0
mass898.52899
referencehmdb:HMDB0041466
InChIKeyHSIIGHDIPGINSY-UHFFFAOYSA-N
InChIInChI=1S/C47H78O16/c1-22-31(52)34(55)36(57)39(59-22)62-38-35(56)33(54)26(19-48)60-41(38)63-37-32(53)25(50)20-58-40(37)61-30-12-13-44(5)27(45(30,6)21-49)11-14-47(8)28(44)10-9-23-24-17-42(2,3)18-29(51)43(24,4)15-16-46(23,47)7/h9,22,24-41,48-57H,10-21H2,1-8H3
SMILESCC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CC(O)C7(C)CCC56C)C4(C)CO)OCC(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O
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Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0041466 Melilotoside C
2-({2-[(4,5-dihydroxy-2-{[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-6-methyloxane-3,4,5-triol
2-({2-[(4,5-dihydroxy-2-{[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-6-methyloxane-3,4,5-triol
5-Bromo-6-methyl-2-pyridinamine
5-Bromo-6-methylpyridin-2-amine
5-Bromo-6-methylpyridin-2-ylamine
6-Amino-3-bromo-2-methylpyridine
6-Amino-3-bromo-2-picoline
hmdb:HMDB41466 secondary/obsolete/fantasy identifier