quercetin-3-gentiobioside
Chemical Formula:
C27H30O17
Molecular Weight:
626.524 Daltons
Monoisotopic Mass:
626.1482995387 Daltons
SMILES:
C(O)C1(OC(C(O)C(O)C(O)1)OCC2(OC(C(O)C(O)C(O)2)OC3(C(C5(=C(OC=3C4(C=CC(O)=C(O)C=4))C=C(O)C=C(O)5))=O)))
InChI:
1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20?,21+,22-,23-,26-,27+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-14820
PubChem (CID):
90657242
MetaNetX:
MNXM80268