Mol:FL7DAAGO0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 -0.4793 0.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4793 0.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -0.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6333 0.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6333 0.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 1.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1896 -0.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7459 0.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7459 0.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1896 1.1654 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 2.3020 1.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4359 1.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4359 1.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 2.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 1.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0027 2.1472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0354 1.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -0.7614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4262 0.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9106 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1681 0.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4517 0.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9723 1.0547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7307 0.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0027 0.5853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7144 0.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7427 -0.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5187 -1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0031 -1.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2606 -1.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5442 -1.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0648 -0.9047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8232 -1.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0952 -1.3741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8069 -1.7610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8352 -2.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1188 -0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4043 -0.7821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0263 1.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3118 1.1773 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 3 4 1 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 18 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 29 1 0 0 0 0 29 35 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 19 1 0 0 0 0 34 38 1 0 0 0 0 38 39 1 0 0 0 0 25 40 1 0 0 0 0 40 41 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 38 39 M SBL 1 1 42 M SMT 1 ^CH2OH M SBV 1 42 -4.8339 5.5498 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 40 41 M SBL 2 1 44 M SMT 2 ^CH2OH M SBV 2 44 -4.8339 5.5498 S SKP 8 ID FL7DAAGS0003 KNApSAcK_ID C00006622 NAME Apigeninidin 5,7-diglucoside CAS_RN 53948-04-2 FORMULA C27H31O14 EXACTMASS 579.1713807 AVERAGEMASS 579.52664 SMILES c(c3)(OC(O5)C(C(C(O)C5CO)O)O)c(c(cc3OC(C4O)OC(CO)C(C(O)4)O)1)ccc(c(c2)ccc(O)c2)[o+1]1 M END
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