Mol:FL7AACGL0016
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 53 58 0 0 0 0 0 0 0 0999 V2000 | + | 53 58 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.4740 1.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4740 1.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4740 1.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4740 1.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7730 0.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7730 0.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0721 1.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0721 1.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0721 1.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0721 1.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7730 2.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7730 2.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3711 0.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3711 0.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6702 1.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6702 1.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6702 1.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6702 1.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3711 2.2453 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -1.3711 2.2453 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0306 2.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0306 2.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7450 1.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7450 1.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4595 2.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4595 2.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4595 3.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4595 3.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7450 3.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7450 3.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0306 3.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0306 3.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7730 -0.1827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7730 -0.1827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7450 4.3072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7450 4.3072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1842 0.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1842 0.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8839 -0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8839 -0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0379 -0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0379 -0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3062 -1.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3062 -1.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0379 -1.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0379 -1.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8839 -2.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8839 -2.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6155 -1.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6155 -1.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6408 0.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6408 0.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4104 -2.1244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4104 -2.1244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7703 -3.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7703 -3.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3206 -2.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3206 -2.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1747 2.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1747 2.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4088 0.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4088 0.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0208 0.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0208 0.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7727 0.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7727 0.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6381 0.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6381 0.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0262 1.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0262 1.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2742 0.9170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2742 0.9170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1975 0.0768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1975 0.0768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1747 1.0812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1747 1.0812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5476 0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5476 0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1737 3.4824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1737 3.4824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0369 -3.3204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0369 -3.3204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5591 -2.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5591 -2.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5805 -2.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5805 -2.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8464 -2.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8464 -2.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5954 -3.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5954 -3.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5739 -3.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5739 -3.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3080 -3.2242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3080 -3.2242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7035 -2.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7035 -2.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6066 -1.4153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6066 -1.4153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9967 -1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9967 -1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2409 -4.3072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2409 -4.3072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7793 1.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7793 1.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4323 2.8018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4323 2.8018 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 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 1 30 1 0 0 0 0 | + | 1 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 |
| − | 34 38 1 0 0 0 0 | + | 34 38 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
| − | 14 40 1 0 0 0 0 | + | 14 40 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 43 44 1 1 0 0 0 | + | 43 44 1 1 0 0 0 |
| − | 44 45 1 1 0 0 0 | + | 44 45 1 1 0 0 0 |
| − | 46 45 1 1 0 0 0 | + | 46 45 1 1 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 42 1 0 0 0 0 | + | 47 42 1 0 0 0 0 |
| − | 46 41 1 0 0 0 0 | + | 46 41 1 0 0 0 0 |
| − | 44 48 1 0 0 0 0 | + | 44 48 1 0 0 0 0 |
| − | 43 49 1 0 0 0 0 | + | 43 49 1 0 0 0 0 |
| − | 42 50 1 0 0 0 0 | + | 42 50 1 0 0 0 0 |
| − | 45 51 1 0 0 0 0 | + | 45 51 1 0 0 0 0 |
| − | 41 29 1 0 0 0 0 | + | 41 29 1 0 0 0 0 |
| − | 52 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
| − | 35 52 1 0 0 0 0 | + | 35 52 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 52 53 | + | M SAL 1 2 52 53 |
| − | M SBL 1 1 58 | + | M SBL 1 1 58 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 58 -0.7531 -0.2449 | + | M SBV 1 58 -0.7531 -0.2449 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AACGL0016 | + | ID FL7AACGL0016 |
| − | FORMULA C33H41O20 | + | FORMULA C33H41O20 |
| − | EXACTMASS 757.219118752 | + | EXACTMASS 757.219118752 |
| − | AVERAGEMASS 757.6666399999999 | + | AVERAGEMASS 757.6666399999999 |
| − | SMILES OC(C(O)1)C(C(OC1OCC(C5O)OC(C(OC(C(O)6)OC(CO)C(C6O)O)C5O)Oc(c3c(c4)cc(O)c(c4)O)cc(c(O)2)c([o+1]3)cc(O)c2)C)O | + | SMILES OC(C(O)1)C(C(OC1OCC(C5O)OC(C(OC(C(O)6)OC(CO)C(C6O)O)C5O)Oc(c3c(c4)cc(O)c(c4)O)cc(c(O)2)c([o+1]3)cc(O)c2)C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-3.4740 1.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4740 1.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7730 0.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0721 1.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0721 1.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7730 2.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3711 0.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6702 1.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6702 1.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3711 2.2453 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.0306 2.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7450 1.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4595 2.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4595 3.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7450 3.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0306 3.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7730 -0.1827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7450 4.3072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1842 0.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8839 -0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0379 -0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3062 -1.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0379 -1.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8839 -2.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6155 -1.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6408 0.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4104 -2.1244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7703 -3.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3206 -2.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1747 2.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4088 0.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0208 0.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7727 0.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6381 0.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0262 1.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2742 0.9170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1975 0.0768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1747 1.0812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5476 0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1737 3.4824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0369 -3.3204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5591 -2.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5805 -2.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8464 -2.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5954 -3.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5739 -3.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3080 -3.2242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7035 -2.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6066 -1.4153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9967 -1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2409 -4.3072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7793 1.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4323 2.8018 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
3 17 1 0 0 0 0
15 18 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
23 29 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
1 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
34 38 1 0 0 0 0
33 39 1 0 0 0 0
31 26 1 0 0 0 0
14 40 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 42 1 0 0 0 0
46 41 1 0 0 0 0
44 48 1 0 0 0 0
43 49 1 0 0 0 0
42 50 1 0 0 0 0
45 51 1 0 0 0 0
41 29 1 0 0 0 0
52 53 1 0 0 0 0
35 52 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 52 53
M SBL 1 1 58
M SMT 1 CH2OH
M SBV 1 58 -0.7531 -0.2449
S SKP 5
ID FL7AACGL0016
FORMULA C33H41O20
EXACTMASS 757.219118752
AVERAGEMASS 757.6666399999999
SMILES OC(C(O)1)C(C(OC1OCC(C5O)OC(C(OC(C(O)6)OC(CO)C(C6O)O)C5O)Oc(c3c(c4)cc(O)c(c4)O)cc(c(O)2)c([o+1]3)cc(O)c2)C)O
M END
