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Schidigerasaponin B1

PropertiesImageOccurences in reactions
MNX_IDMNXM130528Image of MNXM130528
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC44H68O18
charge0
mass884.44057
referencehmdb:HMDB0035507
InChIKeyCIJLYOWWFYEYAN-UHFFFAOYSA-N
InChIInChI=1S/C44H68O18/c1-18-7-10-44(56-16-18)19(2)30-26(62-44)12-24-22-6-5-20-11-21(8-9-42(20,3)23(22)13-29(48)43(24,30)4)57-41-38(61-40-36(54)34(52)32(50)27(14-45)58-40)37(33(51)28(15-46)59-41)60-39-35(53)31(49)25(47)17-55-39/h19-28,30-41,45-47,49-54H,1,5-17H2,2-4H3
SMILESC=C1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C1C2C
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Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0035507 Schidigerasaponin B1
16'-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-10'-one
hmdb:HMDB35507 secondary/obsolete/fantasy identifier