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alpha-Solamarine

PropertiesImageOccurences in reactions
MNX_IDMNXM119048Image of MNXM119048
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC45H73NO16
charge0
mass883.49294
referencehmdb:HMDB0034356
InChIKeyRCTKRNCKOYYRIO-UHFFFAOYSA-N
InChIInChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-41-37(55)38(33(51)29(18-48)58-41)60-42-39(35(53)32(50)28(17-47)59-42)61-40-36(54)34(52)31(49)21(3)56-40/h6,19-21,23-42,46-55H,7-18H2,1-5H3
SMILESCC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C6O)CCC5(C)C4CCC3(C)C1C2C
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Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0034356 alpha-Solamarine
2-[(2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy}oxan-4-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol
a-Solamarine
alpha-solamarine
hmdb:HMDB34356 secondary/obsolete/fantasy identifier