Mol:FL63ACNN0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 49 54 0 0 0 0 0 0 0 0999 V2000 | + | 49 54 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5663 0.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5663 0.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5663 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5663 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0278 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0278 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4893 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4893 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4893 0.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4893 0.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0278 1.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0278 1.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9508 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9508 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4122 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4122 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4122 0.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4122 0.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9508 1.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9508 1.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1046 1.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1046 1.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0673 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0673 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6120 0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6120 0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1567 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1567 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1567 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1567 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6120 1.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6120 1.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0673 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0673 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6120 2.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6120 2.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0097 -0.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0097 -0.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7009 1.9225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7009 1.9225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0097 -1.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0097 -1.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6932 -1.5804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6932 -1.5804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0278 -0.8518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0278 -0.8518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7122 -1.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7122 -1.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4136 -1.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4136 -1.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1138 -1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1138 -1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8140 -1.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8140 -1.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5142 -1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5142 -1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4136 -0.3668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4136 -0.3668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5142 -2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5142 -2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0751 -2.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0751 -2.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6361 -2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6361 -2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6361 -1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6361 -1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0751 -1.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0751 -1.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1970 -1.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1970 -1.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1970 -2.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1970 -2.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4136 -2.0650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4136 -2.0650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1043 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1043 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1043 -0.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1043 -0.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5660 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5660 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5660 -1.7826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5660 -1.7826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5525 0.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5525 0.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5525 0.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5525 0.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1009 0.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1009 0.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6492 0.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6492 0.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6492 0.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6492 0.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1009 -0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1009 -0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1970 0.9780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1970 0.9780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1970 -0.2877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1970 -0.2877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 9 12 1 6 0 0 0 | + | 9 12 1 6 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 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 28 30 2 0 0 0 0 | + | 28 30 2 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 34 28 1 0 0 0 0 | + | 34 28 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 25 37 1 6 0 0 0 | + | 25 37 1 6 0 0 0 |
| − | 2 38 1 0 0 0 0 | + | 2 38 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 23 1 0 0 0 0 | + | 40 23 1 0 0 0 0 |
| − | 40 41 2 0 0 0 0 | + | 40 41 2 0 0 0 0 |
| − | 38 42 1 1 0 0 0 | + | 38 42 1 1 0 0 0 |
| − | 42 43 2 0 0 0 0 | + | 42 43 2 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 44 45 2 0 0 0 0 | + | 44 45 2 0 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 46 47 2 0 0 0 0 | + | 46 47 2 0 0 0 0 |
| − | 47 42 1 0 0 0 0 | + | 47 42 1 0 0 0 0 |
| − | 45 48 1 0 0 0 0 | + | 45 48 1 0 0 0 0 |
| − | 46 49 1 0 0 0 0 | + | 46 49 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63ACNN0001 | + | ID FL63ACNN0001 |
| − | KNApSAcK_ID C00008900 | + | KNApSAcK_ID C00008900 |
| − | NAME Isophylloflavanine | + | NAME Isophylloflavanine |
| − | CAS_RN 124902-14-3 | + | CAS_RN 124902-14-3 |
| − | FORMULA C35H32O13 | + | FORMULA C35H32O13 |
| − | EXACTMASS 660.18429111 | + | EXACTMASS 660.18429111 |
| − | AVERAGEMASS 660.62078 | + | AVERAGEMASS 660.62078 |
| − | SMILES C(c(c6)ccc(c6O)O)CC([H])(O)CC(OC(C4c(c5)cc(c(c5)O)O)Cc(c1O4)c(O3)c(C(CC3=O)c(c2)ccc(O)c(O)2)c(O)c1)=O | + | SMILES C(c(c6)ccc(c6O)O)CC([H])(O)CC(OC(C4c(c5)cc(c(c5)O)O)Cc(c1O4)c(O3)c(C(CC3=O)c(c2)ccc(O)c(O)2)c(O)c1)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
49 54 0 0 0 0 0 0 0 0999 V2000
-2.5663 0.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5663 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0278 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4893 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4893 0.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0278 1.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9508 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4122 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4122 0.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9508 1.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1046 1.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0673 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6120 0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1567 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1567 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6120 1.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0673 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6120 2.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0097 -0.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7009 1.9225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0097 -1.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6932 -1.5804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0278 -0.8518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7122 -1.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4136 -1.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1138 -1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8140 -1.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5142 -1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4136 -0.3668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5142 -2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0751 -2.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6361 -2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6361 -1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0751 -1.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1970 -1.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1970 -2.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4136 -2.0650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1043 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1043 -0.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5660 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5660 -1.7826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5525 0.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5525 0.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1009 0.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6492 0.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6492 0.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1009 -0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1970 0.9780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1970 -0.2877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 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
1 11 1 0 0 0 0
9 12 1 6 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
16 18 1 0 0 0 0
8 19 1 1 0 0 0
15 20 1 0 0 0 0
19 21 1 0 0 0 0
21 22 2 0 0 0 0
3 23 1 0 0 0 0
21 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
25 29 1 0 0 0 0
28 30 2 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 28 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
25 37 1 6 0 0 0
2 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 23 1 0 0 0 0
40 41 2 0 0 0 0
38 42 1 1 0 0 0
42 43 2 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
47 42 1 0 0 0 0
45 48 1 0 0 0 0
46 49 1 0 0 0 0
S SKP 8
ID FL63ACNN0001
KNApSAcK_ID C00008900
NAME Isophylloflavanine
CAS_RN 124902-14-3
FORMULA C35H32O13
EXACTMASS 660.18429111
AVERAGEMASS 660.62078
SMILES C(c(c6)ccc(c6O)O)CC([H])(O)CC(OC(C4c(c5)cc(c(c5)O)O)Cc(c1O4)c(O3)c(C(CC3=O)c(c2)ccc(O)c(O)2)c(O)c1)=O
M END
