Mol:FL5FACGS0077
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 52 57 0 0 0 0 0 0 0 0999 V2000 | + | 52 57 0 0 0 0 0 0 0 0999 V2000 |
− | -2.0785 1.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0785 1.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6661 2.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6661 2.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0784 3.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0784 3.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9034 3.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9034 3.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3159 2.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3159 2.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9035 1.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9035 1.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8410 2.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8410 2.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4285 1.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4285 1.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3965 1.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3965 1.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8090 2.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8090 2.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3965 3.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3965 3.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4285 3.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4285 3.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8089 1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8089 1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6339 1.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6339 1.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0464 1.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0464 1.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6339 2.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6339 2.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8090 3.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8090 3.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2362 0.4097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2362 0.4097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8410 3.9240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8410 3.9240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0464 3.2096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0464 3.2096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9994 2.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9994 2.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2663 3.8381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2663 3.8381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8249 -2.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8249 -2.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5396 -1.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5396 -1.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3304 -1.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3304 -1.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5573 -0.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5573 -0.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8426 -0.6883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8426 -0.6883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0517 -1.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0517 -1.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5683 -1.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5683 -1.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9688 -1.6860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9688 -1.6860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8902 -3.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8902 -3.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3298 -2.4739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3298 -2.4739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1324 -0.3788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1324 -0.3788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9994 2.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9994 2.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2515 2.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2515 2.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3903 1.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3903 1.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0951 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0951 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8431 0.7945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8431 0.7945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7044 1.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7044 1.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7078 0.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7078 0.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3465 2.7394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3465 2.7394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9609 3.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9609 3.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5560 -2.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5560 -2.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0358 -3.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0358 -3.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2242 -2.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2242 -2.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5502 -3.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5502 -3.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0300 -2.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0300 -2.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2183 -2.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2183 -2.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6050 -3.9240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6050 -3.9240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8202 -3.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8202 -3.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6223 -2.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6223 -2.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3035 -2.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3035 -2.5816 0.0000 C 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 |
− | 2 7 1 0 0 0 0 | + | 2 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
− | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
− | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
− | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
− | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
− | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
− | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
− | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
− | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
− | 4 22 1 0 0 0 0 | + | 4 22 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 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
− | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
− | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
− | 26 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
− | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
− | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
− | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
− | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
− | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
− | 36 40 1 0 0 0 0 | + | 36 40 1 0 0 0 0 |
− | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
− | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
− | 37 33 1 0 0 0 0 | + | 37 33 1 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 1 0 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 |
− | 47 46 1 1 0 0 0 | + | 47 46 1 1 0 0 0 |
− | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
− | 48 43 1 0 0 0 0 | + | 48 43 1 0 0 0 0 |
− | 46 49 1 0 0 0 0 | + | 46 49 1 0 0 0 0 |
− | 45 50 1 0 0 0 0 | + | 45 50 1 0 0 0 0 |
− | 44 51 1 0 0 0 0 | + | 44 51 1 0 0 0 0 |
− | 43 52 1 0 0 0 0 | + | 43 52 1 0 0 0 0 |
− | 47 30 1 0 0 0 0 | + | 47 30 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FACGS0077 | + | ID FL5FACGS0077 |
− | FORMULA C32H38O20 | + | FORMULA C32H38O20 |
− | EXACTMASS 742.1956436559999 | + | EXACTMASS 742.1956436559999 |
− | AVERAGEMASS 742.63212 | + | AVERAGEMASS 742.63212 |
− | SMILES O(C(OC(C(O)6)C(OC(C(O)6)COC(O5)C(O)C(C(C5C)O)O)Oc(c2)cc(O3)c(C(=O)C(=C3c(c4)ccc(c4O)O)O)c2O)1)CC(O)C(O)C1O | + | SMILES O(C(OC(C(O)6)C(OC(C(O)6)COC(O5)C(O)C(C(C5C)O)O)Oc(c2)cc(O3)c(C(=O)C(=C3c(c4)ccc(c4O)O)O)c2O)1)CC(O)C(O)C1O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 52 57 0 0 0 0 0 0 0 0999 V2000 -2.0785 1.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6661 2.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0784 3.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9034 3.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3159 2.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9035 1.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 2.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4285 1.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3965 1.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 2.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3965 3.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4285 3.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8089 1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6339 1.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0464 1.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6339 2.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 3.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2362 0.4097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 3.9240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0464 3.2096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9994 2.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2663 3.8381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8249 -2.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5396 -1.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3304 -1.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5573 -0.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8426 -0.6883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0517 -1.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5683 -1.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9688 -1.6860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8902 -3.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3298 -2.4739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1324 -0.3788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9994 2.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2515 2.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3903 1.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0951 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8431 0.7945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 1.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7078 0.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3465 2.7394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9609 3.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -2.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0358 -3.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2242 -2.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5502 -3.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 -2.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2183 -2.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -3.9240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8202 -3.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6223 -2.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3035 -2.5816 0.0000 C 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 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 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 18 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 36 40 1 0 0 0 0 35 41 1 0 0 0 0 34 42 1 0 0 0 0 37 33 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 43 1 0 0 0 0 46 49 1 0 0 0 0 45 50 1 0 0 0 0 44 51 1 0 0 0 0 43 52 1 0 0 0 0 47 30 1 0 0 0 0 S SKP 5 ID FL5FACGS0077 FORMULA C32H38O20 EXACTMASS 742.1956436559999 AVERAGEMASS 742.63212 SMILES O(C(OC(C(O)6)C(OC(C(O)6)COC(O5)C(O)C(C(C5C)O)O)Oc(c2)cc(O3)c(C(=O)C(=C3c(c4)ccc(c4O)O)O)c2O)1)CC(O)C(O)C1O M END