Mol:FL7AACGL0127
From Metabolomics.JP
(Difference between revisions)
(Created page with "FL7AACGL0127.mol ChemDraw12051214423D 113122 0 0 0 0 0 0 0 0999 V2000 2.2909 -2.1968 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5764 -1.784...") |
|||
Line 1: | Line 1: | ||
− | |||
− | |||
+ | |||
+ | Copyright: ARM project http://www.metabolome.jp/ | ||
113122 0 0 0 0 0 0 0 0999 V2000 | 113122 0 0 0 0 0 0 0 0999 V2000 | ||
2.2909 -2.1968 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 | 2.2909 -2.1968 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 | ||
Line 239: | Line 239: | ||
1100 1 0 | 1100 1 0 | ||
M CHG 1 6 1 | M CHG 1 6 1 | ||
− | S SKP | + | S SKP 9 |
+ | AUTODRAW FALSE | ||
ID FL7AACGL0127 | ID FL7AACGL0127 | ||
+ | KNApSAcK_ID | ||
+ | NAME | ||
+ | CAS_RN 171204-55-0 | ||
FORMULA C69H71O38 | FORMULA C69H71O38 | ||
EXACTMASS 1507.3623329079999 | EXACTMASS 1507.3623329079999 |
Revision as of 14:44, 5 December 2012
Copyright: ARM project http://www.metabolome.jp/ 113122 0 0 0 0 0 0 0 0999 V2000 2.2909 -2.1968 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5764 -1.7843 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5764 -0.9593 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8619 -2.1969 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2908 -0.5468 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8619 -0.5468 -2.5960 O 0 3 0 0 0 5 0 0 0 0 0 0 0.1474 -1.7844 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2909 0.2782 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0053 -0.9593 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1474 -0.9593 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5671 -2.1969 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0053 0.6907 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7198 -0.5468 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5671 -0.5468 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2816 -1.7844 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5671 -3.0219 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7198 0.2782 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0053 1.5157 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2816 -0.9594 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4343 0.6907 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9961 -0.5469 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7194 2.5459 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4338 2.1334 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2422 -4.1844 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1483 2.5459 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4339 1.3083 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2422 -5.0095 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1483 3.3709 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5913 2.2901 -2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5277 -5.4220 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9567 -5.4220 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8628 3.7834 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7053 3.6266 -2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5277 -6.2470 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0847 -5.1662 -2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8628 4.6084 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5773 3.3709 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8132 -6.6595 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9707 -6.5027 -2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5773 5.0209 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2917 3.7834 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8132 -7.4845 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0988 -6.2470 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2918 4.6084 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5773 5.8459 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0987 -7.8970 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3843 -6.6595 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0062 5.0209 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3842 -7.4845 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0987 -8.7220 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3303 -7.8970 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6728 6.5604 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9583 6.9729 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9583 7.7979 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2438 6.5604 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2438 8.2104 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4013 8.0537 -2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5294 7.7979 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2438 8.7220 -2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8148 8.2105 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5293 6.9729 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1003 7.7980 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8149 6.5604 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1004 6.9729 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3859 8.2105 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3859 6.5605 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7823 5.3501 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3698 4.6357 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5717 4.8448 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7785 4.6357 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1909 5.3501 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9890 5.1411 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9883 4.2614 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5792 5.1366 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1948 4.6357 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6693 5.7954 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0539 2.9615 1.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0216 2.4933 -0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0215 1.7205 -0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4844 2.2758 -0.1585 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7307 2.4658 -0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7306 3.2386 -0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 2.6832 -0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6712 2.0967 0.2711 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 3.2951 -0.1585 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0633 3.4513 -0.1585 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4433 -3.4287 1.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0153 -1.5222 -0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2425 -1.5223 -0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7978 -2.0594 -0.1585 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9878 -2.8131 -0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7606 -2.8132 -0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2052 -2.2759 -0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8707 -0.7495 0.2711 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8171 -2.2758 -0.1585 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9733 -3.6071 -0.1585 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4512 -2.9795 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -2.4497 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0766 -1.8672 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6902 -2.5364 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4331 -2.3241 2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1807 -2.5364 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5673 -1.8672 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8242 -2.0795 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3157 -1.8859 2.1664 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1301 -1.5496 2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3611 -2.0799 2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1495 -2.6007 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1499 -1.7750 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8640 -3.0132 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8647 -1.3619 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8647 -0.5369 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5792 -1.7744 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 0 3 5 1 0 3 6 2 0 4 7 1 0 5 8 2 0 5 9 1 0 6 10 1 0 7 10 1 0 7 11 2 0 8 12 1 0 9 13 2 0 10 14 2 0 11 15 1 0 11 16 1 0 12 17 2 0 12 18 1 0 13 17 1 0 14 19 1 0 15 19 2 0 17 20 1 0 19 21 1 0 22 23 1 0 23 25 1 0 23 26 2 0 24 27 1 0 25 28 2 0 25 29 1 0 27 30 1 0 27 31 2 0 28 32 1 0 28 33 1 0 30 34 2 0 30 35 1 0 32 36 1 0 32 37 2 0 34 38 1 0 34 39 1 0 36 40 2 0 37 41 1 0 38 42 1 0 38 43 2 0 40 44 1 0 40 45 1 0 41 44 2 0 42 46 2 0 43 47 1 0 44 48 1 0 46 49 1 0 46 50 1 0 47 49 2 0 49 51 1 0 52 53 1 0 53 54 1 0 53 55 2 0 54 56 2 0 54 57 1 0 56 58 1 0 56 59 1 0 58 60 1 0 58 61 2 0 60 62 2 0 61 63 1 0 62 64 1 0 62 65 1 0 63 64 2 0 64 66 1 0 67 68 1 1 69 68 1 1 70 69 1 1 70 71 1 0 71 72 1 0 72 67 1 0 69 73 1 0 67 74 1 0 68 75 1 0 72 76 1 0 48 70 1 0 52 76 1 0 78 79 1 0 79 80 1 1 80 81 1 1 82 81 1 1 82 83 1 0 83 78 1 0 78 84 1 0 83 85 1 0 81 77 1 0 82 86 1 0 22 77 1 0 18 79 1 0 88 89 1 0 89 90 1 1 90 91 1 1 92 91 1 1 92 93 1 0 93 88 1 0 88 94 1 0 93 95 1 0 91 87 1 0 92 96 1 0 21 89 1 0 24 87 1 0 99100 1 0 100101 1 1 101102 1 1 103102 1 1 103104 1 0 104 99 1 0 99105 1 0 104106 1 0 102 98 1 0 103107 1 0 97 98 1 0 108109 1 0 108110 2 0 109111 1 0 111112 1 0 111113 2 0 97108 1 0 1100 1 0 M CHG 1 6 1 S SKP 9 AUTODRAW FALSE ID FL7AACGL0127 KNApSAcK_ID NAME CAS_RN 171204-55-0 FORMULA C69H71O38 EXACTMASS 1507.3623329079999 AVERAGEMASS 1508.27924 SMILES c(c1)c(O)c(O)cc(C(=C(C(=O)OCC(O2)C(O)C(C(C(Oc(c%10)c(O)cc(c%10)C(=C([H])C(=O)OCC(O3)C(O)C(C(O)C(Oc(c(O)4)cc(c(c8OC(C9O)OC(COC(=O)CC(O)=O)C(O)C9O)[o+1]c(c5)c(c8)c(O)cc5OC(O6)C(O)C(O)C(C(COC(C(=C([H])c(c7)cc(c(c7)O)O)[H])=O)6)O)cc4)3)O)[H])2)O)O)[H])[H])1 M END