Mol:FL7AAHGL0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 66 72 0 0 0 0 0 0 0 0999 V2000 | + | 66 72 0 0 0 0 0 0 0 0999 V2000 |
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| − | -4.0578 1.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0578 1.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4153 2.5899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4153 2.5899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.3855 -0.3995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3855 -0.3995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7064 -1.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7064 -1.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0550 -1.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0550 -1.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.6416 -3.7396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6416 -3.7396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1996 -3.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1996 -3.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5857 -0.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5857 -0.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1593 -0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1593 -0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8746 -0.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8746 -0.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5883 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5883 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.4058 -0.4247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4058 -0.4247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3587 -0.9016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3587 -0.9016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.2954 3.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2954 3.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6320 -5.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6320 -5.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1851 -4.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1851 -4.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9502 -4.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9502 -4.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6823 -4.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6823 -4.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1294 -5.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1294 -5.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3643 -4.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3643 -4.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8400 -4.7345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8400 -4.7345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4646 -4.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4646 -4.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8254 -5.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8254 -5.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6090 -5.9015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6090 -5.9015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2977 -3.8348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2977 -3.8348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1500 4.9408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1500 4.9408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7019 5.9015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7019 5.9015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8346 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8346 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5437 1.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5437 1.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5298 0.8418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5298 0.8418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8146 0.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8146 0.8418 0.0000 C 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 |
| − | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 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 |
| − | 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 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
| − | 41 42 1 1 0 0 0 | + | 41 42 1 1 0 0 0 |
| − | 42 43 1 1 0 0 0 | + | 42 43 1 1 0 0 0 |
| − | 44 43 1 1 0 0 0 | + | 44 43 1 1 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 46 41 1 0 0 0 0 | + | 46 41 1 0 0 0 0 |
| − | 41 47 1 0 0 0 0 | + | 41 47 1 0 0 0 0 |
| − | 42 48 1 0 0 0 0 | + | 42 48 1 0 0 0 0 |
| − | 43 49 1 0 0 0 0 | + | 43 49 1 0 0 0 0 |
| − | 44 17 1 0 0 0 0 | + | 44 17 1 0 0 0 0 |
| − | 51 50 1 1 0 0 0 | + | 51 50 1 1 0 0 0 |
| − | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
| − | 52 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
| − | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
| − | 54 55 1 1 0 0 0 | + | 54 55 1 1 0 0 0 |
| − | 55 50 1 1 0 0 0 | + | 55 50 1 1 0 0 0 |
| − | 54 56 1 0 0 0 0 | + | 54 56 1 0 0 0 0 |
| − | 53 57 1 0 0 0 0 | + | 53 57 1 0 0 0 0 |
| − | 55 58 1 0 0 0 0 | + | 55 58 1 0 0 0 0 |
| − | 50 59 1 0 0 0 0 | + | 50 59 1 0 0 0 0 |
| − | 31 60 1 0 0 0 0 | + | 31 60 1 0 0 0 0 |
| − | 51 60 1 0 0 0 0 | + | 51 60 1 0 0 0 0 |
| − | 61 62 1 0 0 0 0 | + | 61 62 1 0 0 0 0 |
| − | 46 61 1 0 0 0 0 | + | 46 61 1 0 0 0 0 |
| − | 63 64 1 0 0 0 0 | + | 63 64 1 0 0 0 0 |
| − | 36 63 1 0 0 0 0 | + | 36 63 1 0 0 0 0 |
| − | 65 66 1 0 0 0 0 | + | 65 66 1 0 0 0 0 |
| − | 13 65 1 0 0 0 0 | + | 13 65 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 2 61 62 | + | M SAL 1 2 61 62 |
| − | M SBL 1 1 68 | + | M SBL 1 1 68 |
| − | M SMT 1 ^ CH2OH | + | M SMT 1 ^ CH2OH |
| − | M SBV 1 68 0.2910 -0.8468 | + | M SBV 1 68 0.2910 -0.8468 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 63 64 | + | M SAL 2 2 63 64 |
| − | M SBL 2 1 70 | + | M SBL 2 1 70 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SBV 2 70 -0.8109 -0.1006 | + | M SBV 2 70 -0.8109 -0.1006 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 65 66 | + | M SAL 3 2 65 66 |
| − | M SBL 3 1 72 | + | M SBL 3 1 72 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SBV 3 72 -0.8427 0.4865 | + | M SBV 3 72 -0.8427 0.4865 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAHGL0007 | + | ID FL7AAHGL0007 |
| − | FORMULA C40H53O26 | + | FORMULA C40H53O26 |
| − | EXACTMASS 949.2825068679999 | + | EXACTMASS 949.2825068679999 |
| − | AVERAGEMASS 949.83322 | + | AVERAGEMASS 949.83322 |
| − | SMILES [o+1](c(c(c6)cc(c(c(OC(O7)C(C(O)C(C7CO)O)O)6)O)OC)1)c(c5)c(c(cc5O)O)cc1OC(O3)C(C(O)C(C3COC(O4)C(O)C(O)C(O)C4C)O)OC(C(O)2)OC(C(C2O)O)CO | + | SMILES [o+1](c(c(c6)cc(c(c(OC(O7)C(C(O)C(C7CO)O)O)6)O)OC)1)c(c5)c(c(cc5O)O)cc1OC(O3)C(C(O)C(C3COC(O4)C(O)C(O)C(O)C4C)O)OC(C(O)2)OC(C(C2O)O)CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
66 72 0 0 0 0 0 0 0 0999 V2000
-3.3433 0.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3433 0.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6286 -0.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9138 0.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9138 0.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6286 1.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1991 -0.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4843 0.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4843 0.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1991 1.3284 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.2302 1.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9586 0.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6871 1.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6871 2.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9586 2.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2302 2.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9586 3.4309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0578 1.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4153 2.5899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6286 -1.1472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3855 -0.3995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7064 -1.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0550 -1.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2234 -1.8991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0011 -2.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7064 -3.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4819 -2.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7055 -0.8177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1483 -2.7620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6416 -3.7396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1996 -3.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5857 -0.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1593 -0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8746 -0.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5883 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0237 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4058 -0.4247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3587 -0.9016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5686 -0.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0578 -0.3214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3796 4.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1638 3.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4808 3.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1896 3.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1681 4.0910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8590 4.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0886 4.4929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7688 3.9128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2954 3.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6320 -5.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1851 -4.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9502 -4.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6823 -4.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1294 -5.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3643 -4.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8400 -4.7345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4646 -4.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8254 -5.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6090 -5.9015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2977 -3.8348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1500 4.9408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7019 5.9015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8346 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5437 1.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5298 0.8418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8146 0.8418 0.0000 C 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
15 17 1 0 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
21 8 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
25 31 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
33 38 1 0 0 0 0
34 39 1 0 0 0 0
35 40 1 0 0 0 0
28 32 1 0 0 0 0
23 21 1 0 0 0 0
41 42 1 1 0 0 0
42 43 1 1 0 0 0
44 43 1 1 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 41 1 0 0 0 0
41 47 1 0 0 0 0
42 48 1 0 0 0 0
43 49 1 0 0 0 0
44 17 1 0 0 0 0
51 50 1 1 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 1 0 0 0
55 50 1 1 0 0 0
54 56 1 0 0 0 0
53 57 1 0 0 0 0
55 58 1 0 0 0 0
50 59 1 0 0 0 0
31 60 1 0 0 0 0
51 60 1 0 0 0 0
61 62 1 0 0 0 0
46 61 1 0 0 0 0
63 64 1 0 0 0 0
36 63 1 0 0 0 0
65 66 1 0 0 0 0
13 65 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 61 62
M SBL 1 1 68
M SMT 1 ^ CH2OH
M SBV 1 68 0.2910 -0.8468
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 63 64
M SBL 2 1 70
M SMT 2 CH2OH
M SBV 2 70 -0.8109 -0.1006
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 65 66
M SBL 3 1 72
M SMT 3 OCH3
M SBV 3 72 -0.8427 0.4865
S SKP 5
ID FL7AAHGL0007
FORMULA C40H53O26
EXACTMASS 949.2825068679999
AVERAGEMASS 949.83322
SMILES [o+1](c(c(c6)cc(c(c(OC(O7)C(C(O)C(C7CO)O)O)6)O)OC)1)c(c5)c(c(cc5O)O)cc1OC(O3)C(C(O)C(C3COC(O4)C(O)C(O)C(O)C4C)O)OC(C(O)2)OC(C(C2O)O)CO
M END
