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) /t17?,18?,19?,20- ,21- ,22- ,23- ,24- ,25+,26+,27- ,28+,30+,31- ,32?/m1/s1 |
BHYDXVJSMVVTCR-NQRZIZCBSA-N |
O([C@H] 1C2(C(C3C(CC2) C4=C(CC3) C=C(O[C@@H] 5O[C@@H] ([C@@H] (O) [C@H] (O) [C@H] 5O) C(O) =O) C=C4) CC1) C) [C@@H] 6O[C@@H] ([C@@H] (O) [C@H] (O) [C@H] 6NC(=O) C) CO |
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Outgoing
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17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronide
(CHEBI:182943)
is a
steroid glucosiduronic acid
(CHEBI:26763)
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(2S,3S,4S,5R,6S)- 6- [[(17R)- 17- [(2R,3R,4R,5S,6R)- 3- acetamido- 4,5- dihydroxy- 6- (hydroxymethyl)oxan- 2- yl]oxy- 13- methyl- 6,7,8,9,11,12,14,15,16,17- decahydrocyclopenta[a]phenanthren- 3- yl]oxy]- 3,4,5- trihydroxyoxane- 2- carboxylic acid
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