Mol:Uralsaponin B
From Metabolomics.JP
ACD/Labs02090817012D 58 64 0 0 1 0 0 0 0 0 1 V2000 26.3593 -9.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3593 -10.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3133 -10.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2674 -10.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2674 -9.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3133 -8.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2214 -10.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1755 -10.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1755 -9.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2214 -8.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1296 -8.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1296 -7.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1755 -6.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2214 -7.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0836 -9.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0377 -8.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0377 -7.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0836 -6.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9918 -6.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9918 -5.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0377 -5.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0836 -5.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4869 -4.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.5885 -4.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9918 -8.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1755 -8.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2674 -8.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7625 -11.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8641 -11.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4052 -10.8379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2674 -6.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1296 -9.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0377 -3.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.6902 -4.3755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4263 -14.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7562 -14.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4123 -13.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7524 -13.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4085 -12.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7384 -12.1265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7449 -14.6236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4022 -10.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4195 -13.1102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5509 -10.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2473 -10.1472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7439 -15.7598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5289 -19.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8588 -19.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5149 -18.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8550 -18.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5111 -17.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8410 -17.2702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8674 -20.9036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5522 -18.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4740 -15.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3040 -15.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6068 -15.2541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8435 -19.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 18 1 0 0 0 0 21 23 1 6 0 0 0 21 24 1 1 0 0 0 17 25 1 1 0 0 0 9 26 1 1 0 0 0 5 27 1 1 0 0 0 3 28 1 6 0 0 0 3 29 1 1 0 0 0 2 30 1 1 0 0 0 14 31 2 0 0 0 0 11 32 1 6 0 0 0 33 24 2 0 0 0 0 34 24 1 0 0 0 0 38 35 1 0 0 0 0 36 35 1 0 0 0 0 39 38 1 0 0 0 0 37 36 1 0 0 0 0 40 39 1 0 0 0 0 40 37 1 0 0 0 0 41 38 1 0 0 0 0 42 39 1 0 0 0 0 43 35 1 0 0 0 0 42 44 2 0 0 0 0 42 45 1 0 0 0 0 46 36 1 0 0 0 0 30 37 1 0 0 0 0 50 47 1 0 0 0 0 48 47 1 0 0 0 0 51 50 1 0 0 0 0 49 48 1 0 0 0 0 52 51 1 0 0 0 0 52 49 1 0 0 0 0 53 48 1 0 0 0 0 54 47 1 0 0 0 0 55 51 1 0 0 0 0 56 55 1 0 0 0 0 55 57 2 0 0 0 0 58 50 1 0 0 0 0 43 49 1 0 0 0 0 S SKP 5 ID Uralsaponin B FORMULA C42H62O16 EXACTMASS 822.4037859360001 AVERAGEMASS 822.93208 SMILES C(C7)(C)(CC(C=61)C(C)(C7)CCC1(C)C(C5)(C(C(C6)=O)C(C4C5)(CCC(C4(C)C)OC(O2)C(O)C(OC(O3)C(C(O)C(O)C(C(O)=O)3)O)C(O)C2C(O)=O)C)C)C(O)=O M END
