17-α-(N-acetyl-α-D-glucosaminyl)estradiol 3-D-glucuronoside
Chemical Formula:
C32H44NO13
Molecular Weight:
650.698 Daltons
Monoisotopic Mass:
651.289090537 Daltons
SMILES:
CC(=O)NC6(C(O)C(O)C(CO)OC(OC2(CCC3(C4(CCC1(=CC(=CC=C1C(CCC(C)23)4)OC5(OC(C(=O)[O-])C(O)C(O)C(O)5))))))6)
InChI:
1S/C32H45NO13/c1-13(35)33-22-24(37)23(36)20(12-34)44-30(22)45-21-8-7-19-18-5-3-14-11-15(4-6-16(14)17(18)9-10-32(19,21)2)43-31-27(40)25(38)26(39)28(46-31)29(41)42/h4,6,11,17-28,30-31,34,36-40H,3,5,7-10,12H2,1-2H3,(H,33,35)(H,41,42)/p-1/t17?,18?,19?,20-,21-,22-,23-,24-,25+,26+,27-,28?,30-,31+,32?/m1/s1
InChIKey:
Databases
PubChem (CID):
90659279
ChEBI:
73201
KEGG:
C04806
MetaNetX:
MNXM165542