α-solanine
Chemical Formula:
C45H74NO15
Molecular Weight:
869.077 Daltons
Monoisotopic Mass:
868.5058457121 Daltons
SMILES:
CC3(C[N+]2(C1(CC4(C(C1C(C2CC3)C)(C)CCC5(C4CC=C9(C5(C)CCC(OC6(OC(C(O)C(C6OC7(OC(C)C(C(C7O)O)O))OC8(OC(CO)C(C(C8O)O)O))CO))C9))))))
InChI:
1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/p+1/t19-,20+,21-,23-,24+,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42+,43+,44-,45-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-9211
ChEBI:
9188
PubChem (CID):
25245960
Seed:
cpd25605
HMDB:
HMDB34202
MetaNetX:
MNXM22498
KEGG:
C10820