Mol:Geniposide
From Metabolomics.JP
ACD/Labs11200717072D 30 32 0 0 1 0 0 0 0 0 1 V2000 28.1044 -5.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1044 -6.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9525 -4.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9525 -7.4032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8007 -5.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8007 -6.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6490 -4.7433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6490 -7.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4972 -6.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2563 -7.4032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2563 -8.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1044 -9.3982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.4082 -9.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4082 -10.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2563 -11.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1045 -10.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7119 -9.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7119 -10.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5600 -8.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7119 -6.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.5601 -7.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4081 -13.3880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2564 -12.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9525 -3.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2562 -4.7432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1044 -8.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.4082 -8.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.1046 -13.3880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.4082 -12.0582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.9528 -12.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 5 7 1 1 0 0 0 6 5 1 0 0 0 0 6 8 1 6 0 0 0 9 8 1 0 0 0 0 11 10 1 1 0 0 0 2 10 1 0 0 0 0 4 2 1 0 0 0 0 11 13 1 0 0 0 0 12 11 1 0 0 0 0 16 15 2 0 0 0 0 16 12 1 0 0 0 0 18 17 1 0 0 0 0 13 19 1 0 0 0 0 14 13 1 0 0 0 0 21 20 1 0 0 0 0 19 17 2 0 0 0 0 19 21 1 0 0 0 0 15 14 1 0 0 0 0 23 22 2 0 0 0 0 23 15 1 0 0 0 0 3 24 1 6 0 0 0 1 25 1 1 0 0 0 2 26 1 1 0 0 0 13 27 1 1 0 0 0 14 18 1 0 0 0 0 23 28 1 0 0 0 0 14 29 1 1 0 0 0 30 28 1 0 0 0 0 S SKP 5 ID Geniposide FORMULA C17H24O10 EXACTMASS 388.136946988 AVERAGEMASS 388.36645999999996 SMILES COC(=O)C(=C2)C([H])(C3)C([H])(C(CO)=C3)C(O2)OC([H])(O1)C(O)C(O)C(O)C(CO)1 M END