Mol:FL5FFCGL0007
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 46 50 0 0 0 0 0 0 0 0999 V2000 | + | 46 50 0 0 0 0 0 0 0 0999 V2000 |
− | -1.2273 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2273 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2273 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2273 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6710 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6710 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1146 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1146 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1146 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1146 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6710 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6710 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4417 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4417 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9980 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9980 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9980 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9980 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4417 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4417 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4417 -1.7022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4417 -1.7022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6984 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6984 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2654 -0.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2654 -0.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8324 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8324 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8324 0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8324 0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2654 1.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2654 1.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6984 0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6984 0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6710 -1.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6710 -1.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4392 1.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4392 1.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8917 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8917 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4419 -1.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4419 -1.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2654 1.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2654 1.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5096 -0.9090 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.5096 -0.9090 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 2.2088 -1.4300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.2088 -1.4300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 2.7873 -1.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7873 -1.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3692 -1.4300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.3692 -1.4300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 3.6701 -0.9090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.6701 -0.9090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 3.0916 -1.0742 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.0916 -1.0742 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 1.9509 -1.0587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9509 -1.0587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1332 -0.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1332 -0.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1042 -1.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1042 -1.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9228 0.0479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.9228 0.0479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | -3.5517 -0.4420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.5517 -0.4420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -3.0172 -0.2342 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.0172 -0.2342 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -2.5014 -0.2286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.5014 -0.2286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -2.8762 0.1463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8762 0.1463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3438 -0.1005 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.3438 -0.1005 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -4.5137 0.0997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5137 0.0997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9020 -0.9032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9020 -0.9032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7109 -0.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7109 -0.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3929 0.6564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3929 0.6564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0437 1.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0437 1.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5688 -1.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5688 -1.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5688 -2.5474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5688 -2.5474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0362 0.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0362 0.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3184 1.2169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3184 1.2169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
− | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
− | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
− | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
− | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
− | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
− | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
− | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
− | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
− | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
− | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
− | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
− | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
− | 24 21 1 0 0 0 0 | + | 24 21 1 0 0 0 0 |
− | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
− | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
− | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
− | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
− | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
− | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
− | 35 20 1 0 0 0 0 | + | 35 20 1 0 0 0 0 |
− | 6 41 1 0 0 0 0 | + | 6 41 1 0 0 0 0 |
− | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
− | 26 43 1 0 0 0 0 | + | 26 43 1 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
− | 37 45 1 0 0 0 0 | + | 37 45 1 0 0 0 0 |
− | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
− | M STY 1 3 SUP | + | M STY 1 3 SUP |
− | M SLB 1 3 3 | + | M SLB 1 3 3 |
− | M SAL 3 2 45 46 | + | M SAL 3 2 45 46 |
− | M SBL 3 1 49 | + | M SBL 3 1 49 |
− | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
− | M SVB 3 49 -3.7422 0.6836 | + | M SVB 3 49 -3.7422 0.6836 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 43 44 | + | M SAL 2 2 43 44 |
− | M SBL 2 1 47 | + | M SBL 2 1 47 |
− | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
− | M SVB 2 47 3.7222 -1.4033 | + | M SVB 2 47 3.7222 -1.4033 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 41 42 | + | M SAL 1 2 41 42 |
− | M SBL 1 1 45 | + | M SBL 1 1 45 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 45 -0.3929 0.6564 | + | M SVB 1 45 -0.3929 0.6564 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FFCGL0007 | + | ID FL5FFCGL0007 |
− | KNApSAcK_ID C00005707 | + | KNApSAcK_ID C00005707 |
− | NAME Corniculatusin 3,7-diglucoside | + | NAME Corniculatusin 3,7-diglucoside |
− | CAS_RN 111133-92-7 | + | CAS_RN 111133-92-7 |
− | FORMULA C28H32O18 | + | FORMULA C28H32O18 |
− | EXACTMASS 656.1588642199999 | + | EXACTMASS 656.1588642199999 |
− | AVERAGEMASS 656.54288 | + | AVERAGEMASS 656.54288 |
− | SMILES c(O)(c4)c(c2c(c(O[C@@H]([C@@H](O)5)OC(CO)[C@@H]([C@@H]5O)O)4)OC)C(C(O[C@@H](C(O)3)O[C@@H]([C@H](O)C3O)CO)=C(O2)c(c1)cc(c(O)c1)O)=O | + | SMILES c(O)(c4)c(c2c(c(O[C@@H]([C@@H](O)5)OC(CO)[C@@H]([C@@H]5O)O)4)OC)C(C(O[C@@H](C(O)3)O[C@@H]([C@H](O)C3O)CO)=C(O2)c(c1)cc(c(O)c1)O)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 46 50 0 0 0 0 0 0 0 0999 V2000 -1.2273 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2273 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1146 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1146 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -1.7022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6984 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2654 -0.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8324 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8324 0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2654 1.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6984 0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 -1.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4392 1.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8917 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4419 -1.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2654 1.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5096 -0.9090 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2088 -1.4300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7873 -1.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3692 -1.4300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6701 -0.9090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0916 -1.0742 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9509 -1.0587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1332 -0.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -1.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9228 0.0479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5517 -0.4420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0172 -0.2342 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5014 -0.2286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8762 0.1463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3438 -0.1005 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5137 0.0997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9020 -0.9032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7109 -0.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3929 0.6564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0437 1.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5688 -1.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5688 -2.5474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0362 0.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3184 1.2169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 19 15 1 0 0 0 0 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 1 0 0 0 0 16 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 28 30 1 0 0 0 0 27 31 1 0 0 0 0 24 21 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 35 20 1 0 0 0 0 6 41 1 0 0 0 0 41 42 1 0 0 0 0 26 43 1 0 0 0 0 43 44 1 0 0 0 0 37 45 1 0 0 0 0 45 46 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 45 46 M SBL 3 1 49 M SMT 3 CH2OH M SVB 3 49 -3.7422 0.6836 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 43 44 M SBL 2 1 47 M SMT 2 CH2OH M SVB 2 47 3.7222 -1.4033 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 45 M SMT 1 OCH3 M SVB 1 45 -0.3929 0.6564 S SKP 8 ID FL5FFCGL0007 KNApSAcK_ID C00005707 NAME Corniculatusin 3,7-diglucoside CAS_RN 111133-92-7 FORMULA C28H32O18 EXACTMASS 656.1588642199999 AVERAGEMASS 656.54288 SMILES c(O)(c4)c(c2c(c(O[C@@H]([C@@H](O)5)OC(CO)[C@@H]([C@@H]5O)O)4)OC)C(C(O[C@@H](C(O)3)O[C@@H]([C@H](O)C3O)CO)=C(O2)c(c1)cc(c(O)c1)O)=O M END