Mol:FL5FFCGA0004
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
− | -1.2472 -4.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2472 -4.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6268 -4.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6268 -4.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1726 -4.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1726 -4.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3389 -3.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3389 -3.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9593 -3.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9593 -3.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4135 -3.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4135 -3.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1154 -3.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1154 -3.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0509 -2.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0509 -2.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6713 -2.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6713 -2.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1256 -2.6902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1256 -2.6902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5990 -3.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5990 -3.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8376 -1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8376 -1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3747 -1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3747 -1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5441 -0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5441 -0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1764 -0.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1764 -0.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6393 -0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6393 -0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4699 -1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4699 -1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7013 -4.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7013 -4.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6484 -1.9186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6484 -1.9186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3802 -0.6584 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.3802 -0.6584 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 0.9925 -1.3298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.9925 -1.3298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 1.7380 -1.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7380 -1.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4879 -1.3298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.4879 -1.3298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 2.8757 -0.6584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8757 -0.6584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 2.1302 -0.8714 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.1302 -0.8714 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 0.6531 -0.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6531 -0.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3990 -0.4058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3990 -0.4058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6215 0.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6215 0.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3458 0.2813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3458 0.2813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4476 -4.2634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4476 -4.2634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2715 -0.6445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2715 -0.6445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0947 -2.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0947 -2.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2978 -1.7869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2978 -1.7869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8951 -3.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8951 -3.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6511 -2.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6511 -2.6933 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 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 |
− | 1 18 1 0 0 0 0 | + | 1 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 |
− | 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 |
− | 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 |
− | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
− | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
− | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
− | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
− | 23 32 1 0 0 0 0 | + | 23 32 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 6 34 1 0 0 0 0 | + | 6 34 1 0 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
− | M SBL 2 1 35 | + | M SBL 2 1 35 |
− | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
− | M SVB 2 35 3.0947 -2.0004 | + | M SVB 2 35 3.0947 -2.0004 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 34 35 | + | M SAL 1 2 34 35 |
− | M SBL 1 1 37 | + | M SBL 1 1 37 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 37 -1.7042 0.9371 | + | M SVB 1 37 -1.7042 0.9371 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FFCGA0004 | + | ID FL5FFCGA0004 |
− | KNApSAcK_ID C00005704 | + | KNApSAcK_ID C00005704 |
− | NAME Corniculatusin 3-galactoside | + | NAME Corniculatusin 3-galactoside |
− | CAS_RN 27560-04-9 | + | CAS_RN 27560-04-9 |
− | FORMULA C22H22O13 | + | FORMULA C22H22O13 |
− | EXACTMASS 494.10604078999995 | + | EXACTMASS 494.10604078999995 |
− | AVERAGEMASS 494.40228 | + | AVERAGEMASS 494.40228 |
− | SMILES O(C(C(=O)3)=C(c(c4)cc(c(O)c4)O)Oc(c23)c(OC)c(cc(O)2)O)[C@H](O1)C(O)C([C@H]([C@@H](CO)1)O)O | + | SMILES O(C(C(=O)3)=C(c(c4)cc(c(O)c4)O)Oc(c23)c(OC)c(cc(O)2)O)[C@H](O1)C(O)C([C@H]([C@@H](CO)1)O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -1.2472 -4.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6268 -4.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1726 -4.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3389 -3.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9593 -3.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4135 -3.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1154 -3.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0509 -2.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6713 -2.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1256 -2.6902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -3.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8376 -1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3747 -1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5441 -0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1764 -0.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6393 -0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4699 -1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7013 -4.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6484 -1.9186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3802 -0.6584 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9925 -1.3298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7380 -1.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4879 -1.3298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8757 -0.6584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1302 -0.8714 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6531 -0.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 -0.4058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6215 0.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 0.2813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4476 -4.2634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2715 -0.6445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0947 -2.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2978 -1.7869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8951 -3.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6511 -2.6933 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 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 1 18 1 0 0 0 0 20 21 1 0 0 0 0 21 22 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 21 19 1 0 0 0 0 19 8 1 0 0 0 0 23 22 1 1 0 0 0 15 29 1 0 0 0 0 3 30 1 0 0 0 0 16 31 1 0 0 0 0 23 32 1 0 0 0 0 32 33 1 0 0 0 0 6 34 1 0 0 0 0 34 35 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 32 33 M SBL 2 1 35 M SMT 2 CH2OH M SVB 2 35 3.0947 -2.0004 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 34 35 M SBL 1 1 37 M SMT 1 OCH3 M SVB 1 37 -1.7042 0.9371 S SKP 8 ID FL5FFCGA0004 KNApSAcK_ID C00005704 NAME Corniculatusin 3-galactoside CAS_RN 27560-04-9 FORMULA C22H22O13 EXACTMASS 494.10604078999995 AVERAGEMASS 494.40228 SMILES O(C(C(=O)3)=C(c(c4)cc(c(O)c4)O)Oc(c23)c(OC)c(cc(O)2)O)[C@H](O1)C(O)C([C@H]([C@@H](CO)1)O)O M END