quercetin-3-gentiotetraside
Chemical Formula:
C39H50O27
Molecular Weight:
950.808 Daltons
Monoisotopic Mass:
950.2539464017 Daltons
SMILES:
C(O)C1(OC(C(O)C(O)C(O)1)OCC2(OC(C(O)C(O)C(O)2)OCC3(OC(C(O)C(O)C(O)3)OCC4(OC(C(O)C(O)C(O)4)OC5(C(C7(=C(OC=5C6(C=CC(O)=C(O)C=6))C=C(O)C=C(O)7))=O)))))
InChI:
1S/C39H50O27/c40-6-16-21(45)26(50)30(54)36(62-16)58-7-17-22(46)27(51)31(55)37(63-17)59-8-18-23(47)28(52)32(56)38(64-18)60-9-19-24(48)29(53)33(57)39(65-19)66-35-25(49)20-14(44)4-11(41)5-15(20)61-34(35)10-1-2-12(42)13(43)3-10/h1-5,16-19,21-24,26-33,36-48,50-57H,6-9H2/t16-,17-,18-,19-,21-,22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33-,36-,37-,38-,39+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-14822
PubChem (CID):
90657568
ChEBI:
145766
MetaNetX:
MNXM114726