Mol:FL7AACGL0041
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 50 54 0 0 0 0 0 0 0 0999 V2000 | + | 50 54 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.8757 1.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8757 1.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8757 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8757 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1611 -0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1611 -0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4467 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4467 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4467 1.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4467 1.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1611 1.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1611 1.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7322 -0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7322 -0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0178 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0178 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0178 1.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0178 1.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7322 1.6341 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -1.7322 1.6341 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3035 1.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3035 1.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4247 1.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4247 1.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1529 1.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1529 1.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1529 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1529 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4247 2.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4247 2.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3035 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3035 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5898 1.6339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5898 1.6339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8809 2.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8809 2.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1611 -0.8407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1611 -0.8407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2389 -0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2389 -0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4172 -1.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4172 -1.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3406 -0.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3406 -0.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1181 -1.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1181 -1.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0363 -2.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0363 -2.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8249 -2.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8249 -2.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4051 -2.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4051 -2.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2333 -0.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2333 -0.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0943 -2.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0943 -2.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7589 -3.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7589 -3.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1855 -3.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1855 -3.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2159 -0.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2159 -0.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6056 -0.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6056 -0.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3875 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3875 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0947 -0.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0947 -0.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6722 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6722 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9725 -0.5120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9725 -0.5120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9732 -0.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9732 -0.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9727 -1.3671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9727 -1.3671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7628 -0.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7628 -0.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4247 3.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4247 3.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4551 -3.5683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4551 -3.5683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1671 -3.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1671 -3.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1671 -2.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1671 -2.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8302 -3.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8302 -3.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4687 -0.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4687 -0.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5898 -0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5898 -0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4505 0.9511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4505 0.9511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9378 -2.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9378 -2.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0074 -1.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0074 -1.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7886 -2.6138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7886 -2.6138 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 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 15 40 1 0 0 0 0 | + | 15 40 1 0 0 0 0 |
| − | 30 41 1 0 0 0 0 | + | 30 41 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 42 41 1 0 0 0 0 | + | 42 41 1 0 0 0 0 |
| − | 42 44 2 0 0 0 0 | + | 42 44 2 0 0 0 0 |
| − | 45 46 2 0 0 0 0 | + | 45 46 2 0 0 0 0 |
| − | 45 47 1 0 0 0 0 | + | 45 47 1 0 0 0 0 |
| − | 35 45 1 0 0 0 0 | + | 35 45 1 0 0 0 0 |
| − | 48 49 2 0 0 0 0 | + | 48 49 2 0 0 0 0 |
| − | 48 50 1 0 0 0 0 | + | 48 50 1 0 0 0 0 |
| − | 43 48 1 0 0 0 0 | + | 43 48 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 3 45 46 47 | + | M SAL 1 3 45 46 47 |
| − | M SBL 1 1 51 | + | M SBL 1 1 51 |
| − | M SMT 1 COOH | + | M SMT 1 COOH |
| − | M SBV 1 51 -0.7965 0.0462 | + | M SBV 1 51 -0.7965 0.0462 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 3 48 49 50 | + | M SAL 2 3 48 49 50 |
| − | M SBL 2 1 54 | + | M SBL 2 1 54 |
| − | M SMT 2 ^ COOH | + | M SMT 2 ^ COOH |
| − | M SBV 2 54 0.7707 -0.4450 | + | M SBV 2 54 0.7707 -0.4450 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AACGL0041 | + | ID FL7AACGL0041 |
| − | FORMULA C30H31O20 | + | FORMULA C30H31O20 |
| − | EXACTMASS 711.1408684319999 | + | EXACTMASS 711.1408684319999 |
| − | AVERAGEMASS 711.55514 | + | AVERAGEMASS 711.55514 |
| − | SMILES O(C1Oc(c3)c(c(c5)cc(O)c(c5)O)[o+1]c(c4)c3c(cc4O)O)C(COC(=O)CC(O)=O)C(O)C(C1OC(O2)C(O)C(O)C(O)C2C(O)=O)O | + | SMILES O(C1Oc(c3)c(c(c5)cc(O)c(c5)O)[o+1]c(c4)c3c(cc4O)O)C(COC(=O)CC(O)=O)C(O)C(C1OC(O2)C(O)C(O)C(O)C2C(O)=O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
50 54 0 0 0 0 0 0 0 0999 V2000
-3.8757 1.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8757 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1611 -0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4467 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4467 1.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1611 1.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7322 -0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0178 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0178 1.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7322 1.6341 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.3035 1.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4247 1.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1529 1.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1529 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4247 2.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3035 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5898 1.6339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8809 2.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1611 -0.8407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2389 -0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4172 -1.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3406 -0.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1181 -1.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0363 -2.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8249 -2.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4051 -2.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2333 -0.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0943 -2.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7589 -3.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1855 -3.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2159 -0.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6056 -0.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3875 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0947 -0.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6722 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9725 -0.5120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9732 -0.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9727 -1.3671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7628 -0.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4247 3.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4551 -3.5683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1671 -3.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1671 -2.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8302 -3.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4687 -0.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5898 -0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4505 0.9511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9378 -2.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0074 -1.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7886 -2.6138 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
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
24 30 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
32 37 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
27 31 1 0 0 0 0
22 20 1 0 0 0 0
15 40 1 0 0 0 0
30 41 1 0 0 0 0
42 43 1 0 0 0 0
42 41 1 0 0 0 0
42 44 2 0 0 0 0
45 46 2 0 0 0 0
45 47 1 0 0 0 0
35 45 1 0 0 0 0
48 49 2 0 0 0 0
48 50 1 0 0 0 0
43 48 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 45 46 47
M SBL 1 1 51
M SMT 1 COOH
M SBV 1 51 -0.7965 0.0462
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 3 48 49 50
M SBL 2 1 54
M SMT 2 ^ COOH
M SBV 2 54 0.7707 -0.4450
S SKP 5
ID FL7AACGL0041
FORMULA C30H31O20
EXACTMASS 711.1408684319999
AVERAGEMASS 711.55514
SMILES O(C1Oc(c3)c(c(c5)cc(O)c(c5)O)[o+1]c(c4)c3c(cc4O)O)C(COC(=O)CC(O)=O)C(O)C(C1OC(O2)C(O)C(O)C(O)C2C(O)=O)O
M END
