oleanolate-3-beta-D-glucuronoside-(3,1)-galactoside-(4,1)-glucoside-28-glucoside
Chemical Formula:
C54H85O24
Molecular Weight:
1118.251 Daltons
Monoisotopic Mass:
1118.550903691 Daltons
SMILES:
CC3(C[CH]4(C2(=CC[CH]6(C1(CCC(C([CH]1CCC(C2(CCC(CC3)4C(OC5(C(C(C(C(CO)O5)O)O)O))=O)C)6C)(C)C)OC7(C(C(C([CH](C([O-])=O)O7)OC8(C(C(C(C(CO)O8)O)O)O))OC9(C(C(C(C(CO)O9)O)O)O))O))C))))C
InChI:
1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-39(67)40(75-44-36(64)33(61)30(58)24(19-55)71-44)41(42(77-47)43(68)69)76-45-37(65)34(62)31(59)25(20-56)72-45/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/p-1/t23-,24+,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35-,36+,37+,38+,39+,40+,41-,42-,44-,45-,46-,47+,51-,52+,53+,54-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-9467
Seed:
cpd25693
MetaNetX:
MNXM12517