Mol:FL5FAAGA0040
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 55 60 0 0 0 0 0 0 0 0999 V2000 | + | 55 60 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.0021 1.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0021 1.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0021 1.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0021 1.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2875 0.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2875 0.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5730 1.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5730 1.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5730 1.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5730 1.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2875 2.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2875 2.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8584 0.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8584 0.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1439 1.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1439 1.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1439 1.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1439 1.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8584 2.3323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8584 2.3323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8584 0.0390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8584 0.0390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7558 2.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7558 2.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4841 2.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4841 2.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2123 2.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2123 2.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2123 3.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2123 3.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4841 3.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4841 3.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7558 3.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7558 3.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2875 -0.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2875 -0.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9918 3.7821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9918 3.7821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6643 2.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6643 2.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6645 0.6280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6645 0.6280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7385 1.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7385 1.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3521 0.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3521 0.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0952 0.7510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0952 0.7510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8427 0.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8427 0.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2292 1.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2292 1.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4862 0.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4862 0.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1837 1.0103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1837 1.0103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8090 1.4181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8090 1.4181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1701 1.8910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1701 1.8910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4302 0.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4302 0.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5499 -0.0394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5499 -0.0394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3964 -0.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3964 -0.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0678 -1.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0678 -1.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6997 -1.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6997 -1.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3356 -1.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3356 -1.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6643 -0.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6643 -0.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0322 -0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0322 -0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2417 -1.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2417 -1.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4368 -1.1195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4368 -1.1195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7589 -0.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7589 -0.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3345 -1.9661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3345 -1.9661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6279 -1.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6279 -1.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3658 -1.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3658 -1.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2644 -0.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2644 -0.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0446 -2.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0446 -2.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7668 -3.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7668 -3.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3807 -3.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3807 -3.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0298 -3.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0298 -3.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3076 -2.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3076 -2.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6938 -2.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6938 -2.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0108 -3.5916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0108 -3.5916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1864 -3.1322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1864 -3.1322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4298 -2.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4298 -2.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0321 -3.7821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0321 -3.7821 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 |
| − | 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 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 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 |
| − | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 35 39 1 0 0 0 0 | + | 35 39 1 0 0 0 0 |
| − | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
| − | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
| − | 36 42 1 0 0 0 0 | + | 36 42 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 40 43 1 0 0 0 0 | + | 40 43 1 0 0 0 0 |
| − | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
| − | 43 45 1 0 0 0 0 | + | 43 45 1 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 48 1 1 0 0 0 | + | 47 48 1 1 0 0 0 |
| − | 48 49 1 1 0 0 0 | + | 48 49 1 1 0 0 0 |
| − | 50 49 1 1 0 0 0 | + | 50 49 1 1 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 51 46 1 0 0 0 0 | + | 51 46 1 0 0 0 0 |
| − | 48 52 1 0 0 0 0 | + | 48 52 1 0 0 0 0 |
| − | 47 53 1 0 0 0 0 | + | 47 53 1 0 0 0 0 |
| − | 46 54 1 0 0 0 0 | + | 46 54 1 0 0 0 0 |
| − | 49 55 1 0 0 0 0 | + | 49 55 1 0 0 0 0 |
| − | 39 50 1 0 0 0 0 | + | 39 50 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGA0040 | + | ID FL5FAAGA0040 |
| − | FORMULA C35H42O20 | + | FORMULA C35H42O20 |
| − | EXACTMASS 782.226943784 | + | EXACTMASS 782.226943784 |
| − | AVERAGEMASS 782.69598 | + | AVERAGEMASS 782.69598 |
| − | SMILES c(O)(c1)ccc(C(=C(OC(O4)C(O)C(C(O)C(COC(O6)C(C(C(OC(C)=O)C(C)6)OC(O5)C(O)C(O)C(O)C5C)O)4)O)2)Oc(c3)c(c(cc3O)O)C2=O)c1 | + | SMILES c(O)(c1)ccc(C(=C(OC(O4)C(O)C(C(O)C(COC(O6)C(C(C(OC(C)=O)C(C)6)OC(O5)C(O)C(O)C(O)C5C)O)4)O)2)Oc(c3)c(c(cc3O)O)C2=O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
55 60 0 0 0 0 0 0 0 0999 V2000
-3.0021 1.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0021 1.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2875 0.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5730 1.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5730 1.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2875 2.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8584 0.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1439 1.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1439 1.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8584 2.3323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8584 0.0390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7558 2.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4841 2.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2123 2.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2123 3.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4841 3.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7558 3.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2875 -0.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9918 3.7821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6643 2.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6645 0.6280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7385 1.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3521 0.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0952 0.7510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8427 0.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2292 1.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4862 0.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1837 1.0103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 1.4181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1701 1.8910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4302 0.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5499 -0.0394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3964 -0.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0678 -1.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6997 -1.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3356 -1.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6643 -0.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0322 -0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2417 -1.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4368 -1.1195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7589 -0.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3345 -1.9661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6279 -1.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3658 -1.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2644 -0.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0446 -2.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7668 -3.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3807 -3.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0298 -3.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3076 -2.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6938 -2.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0108 -3.5916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1864 -3.1322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4298 -2.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0321 -3.7821 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
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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
4 3 1 0 0 0 0
1 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
23 21 1 0 0 0 0
31 32 1 0 0 0 0
33 34 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 33 1 0 0 0 0
35 39 1 0 0 0 0
34 40 1 0 0 0 0
33 41 1 0 0 0 0
36 42 1 0 0 0 0
37 32 1 0 0 0 0
40 43 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 1 0 0 0
48 49 1 1 0 0 0
50 49 1 1 0 0 0
50 51 1 0 0 0 0
51 46 1 0 0 0 0
48 52 1 0 0 0 0
47 53 1 0 0 0 0
46 54 1 0 0 0 0
49 55 1 0 0 0 0
39 50 1 0 0 0 0
S SKP 5
ID FL5FAAGA0040
FORMULA C35H42O20
EXACTMASS 782.226943784
AVERAGEMASS 782.69598
SMILES c(O)(c1)ccc(C(=C(OC(O4)C(O)C(C(O)C(COC(O6)C(C(C(OC(C)=O)C(C)6)OC(O5)C(O)C(O)C(O)C5C)O)4)O)2)Oc(c3)c(c(cc3O)O)C2=O)c1
M END
