Mol:FL2FADGS0003
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
− | -0.4795 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4795 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0414 -1.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0414 -1.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5623 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5623 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5623 -0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5623 -0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0414 0.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0414 0.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4795 -0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4795 -0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0832 -1.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0832 -1.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6041 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6041 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6041 -0.1386 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.6041 -0.1386 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 1.0832 0.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0832 0.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0832 -1.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0832 -1.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0414 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0414 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9862 0.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9862 0.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1838 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1838 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7125 -0.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7125 -0.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2412 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2412 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2412 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2412 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7125 1.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7125 1.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1838 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1838 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2412 0.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2412 0.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3852 -0.3672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.3852 -0.3672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | -3.0411 -0.8214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.0411 -0.8214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -2.5456 -0.6287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.5456 -0.6287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -2.0674 -0.6235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.0674 -0.6235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -2.4149 -0.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4149 -0.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9210 -0.4578 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.9210 -0.4578 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -3.7698 -0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7698 -0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3659 -1.2489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3659 -1.2489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2616 -1.1053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2616 -1.1053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0965 -0.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0965 -0.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9672 0.6275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9672 0.6275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3989 1.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3989 1.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8977 0.9371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8977 0.9371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8147 1.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8147 1.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9768 1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9768 1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4005 2.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4005 2.5475 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 |
− | 3 7 1 0 0 0 0 | + | 3 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 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
− | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
− | 9 14 1 0 0 0 0 | + | 9 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
− | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
− | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
− | 17 20 1 0 0 0 0 | + | 17 20 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 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
− | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
− | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
− | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
− | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
− | 24 13 1 0 0 0 0 | + | 24 13 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
− | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
− | 18 35 1 0 0 0 0 | + | 18 35 1 0 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 35 36 | + | M SAL 1 2 35 36 |
− | M SBL 1 1 38 | + | M SBL 1 1 38 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 38 2.9768 1.6417 | + | M SVB 1 38 2.9768 1.6417 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL2FADGS0003 | + | ID FL2FADGS0003 |
− | KNApSAcK_ID C00008442 | + | KNApSAcK_ID C00008442 |
− | NAME Viscumneoside VI | + | NAME Viscumneoside VI |
− | CAS_RN 118985-26-5 | + | CAS_RN 118985-26-5 |
− | FORMULA C24H26O12 | + | FORMULA C24H26O12 |
− | EXACTMASS 506.142426296 | + | EXACTMASS 506.142426296 |
− | AVERAGEMASS 506.45604 | + | AVERAGEMASS 506.45604 |
− | SMILES Oc(c3)c(C(=O)1)c(cc3O[C@@H]([C@H]4O)OC(COC(C)=O)[C@@H]([C@@H]4O)O)OC(c(c2)cc(c(c2)O)OC)C1 | + | SMILES Oc(c3)c(C(=O)1)c(cc3O[C@@H]([C@H]4O)OC(COC(C)=O)[C@@H]([C@@H]4O)O)OC(c(c2)cc(c(c2)O)OC)C1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 -0.4795 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0414 -1.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5623 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5623 -0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0414 0.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4795 -0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0832 -1.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6041 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6041 -0.1386 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0832 0.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0832 -1.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0414 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9862 0.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1838 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 -0.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2412 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2412 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 1.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1838 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2412 0.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3852 -0.3672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0411 -0.8214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5456 -0.6287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0674 -0.6235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4149 -0.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -0.4578 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7698 -0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3659 -1.2489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2616 -1.1053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0965 -0.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9672 0.6275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3989 1.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8977 0.9371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8147 1.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9768 1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4005 2.5475 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 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 7 11 2 0 0 0 0 2 12 1 0 0 0 0 6 13 1 0 0 0 0 9 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 17 20 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 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 26 30 1 0 0 0 0 24 13 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 18 35 1 0 0 0 0 35 36 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 35 36 M SBL 1 1 38 M SMT 1 OCH3 M SVB 1 38 2.9768 1.6417 S SKP 8 ID FL2FADGS0003 KNApSAcK_ID C00008442 NAME Viscumneoside VI CAS_RN 118985-26-5 FORMULA C24H26O12 EXACTMASS 506.142426296 AVERAGEMASS 506.45604 SMILES Oc(c3)c(C(=O)1)c(cc3O[C@@H]([C@H]4O)OC(COC(C)=O)[C@@H]([C@@H]4O)O)OC(c(c2)cc(c(c2)O)OC)C1 M END