Mol:FLID1AGS0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 37 41 0 0 0 0 0 0 0 0999 V2000 | + | 37 41 0 0 0 0 0 0 0 0999 V2000 |
− | -1.0568 -0.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0568 -0.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5005 -0.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5005 -0.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0558 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0558 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6119 -0.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6119 -0.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6119 -1.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6119 -1.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1887 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1887 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7654 -1.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7654 -1.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7654 -0.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7654 -0.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1887 -0.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1887 -0.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5002 -1.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5002 -1.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0558 -1.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0558 -1.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1925 -2.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1925 -2.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3418 -1.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3418 -1.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3418 -2.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3418 -2.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8931 -2.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8931 -2.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4445 -2.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4445 -2.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4445 -1.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4445 -1.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8931 -1.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8931 -1.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1607 -0.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1607 -0.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8144 -0.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8144 -0.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3158 -0.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3158 -0.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7962 -0.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7962 -0.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1843 -0.2172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1843 -0.2172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6936 -0.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6936 -0.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8589 -0.4960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8589 -0.4960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3542 -0.7923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3542 -0.7923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0301 -1.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0301 -1.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1786 0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1786 0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5819 0.6197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5819 0.6197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6011 1.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6011 1.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1626 1.7897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1626 1.7897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8699 1.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8699 1.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8699 2.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8699 2.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3384 2.8496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3384 2.8496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2722 2.9243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2722 2.9243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8589 -2.9243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8589 -2.9243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0620 -2.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0620 -2.7107 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 7 1 0 0 0 0 | + | 6 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 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
− | 2 10 1 0 0 0 0 | + | 2 10 1 0 0 0 0 |
− | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
− | 11 5 1 0 0 0 0 | + | 11 5 1 0 0 0 0 |
− | 6 12 1 0 0 0 0 | + | 6 12 1 0 0 0 0 |
− | 7 13 1 0 0 0 0 | + | 7 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
− | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
− | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
− | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
− | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
− | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
− | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
− | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
− | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
− | 14 12 1 0 0 0 0 | + | 14 12 1 0 0 0 0 |
− | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
− | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
− | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
− | 30 29 1 0 0 0 0 | + | 30 29 1 0 0 0 0 |
− | 16 36 1 0 0 0 0 | + | 16 36 1 0 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 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 36 37 | + | M SAL 1 2 36 37 |
− | M SBL 1 1 40 | + | M SBL 1 1 40 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 40 -5.7108 3.4283 | + | M SBV 1 40 -5.7108 3.4283 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLID1AGS0002 | + | ID FLID1AGS0002 |
− | KNApSAcK_ID C00010184 | + | KNApSAcK_ID C00010184 |
− | NAME Medicarpin 3-O-(6'-malonylgluclside) | + | NAME Medicarpin 3-O-(6'-malonylgluclside) |
− | CAS_RN 131653-24-2 | + | CAS_RN 131653-24-2 |
− | FORMULA C25H26O12 | + | FORMULA C25H26O12 |
− | EXACTMASS 518.1424262959999 | + | EXACTMASS 518.1424262959999 |
− | AVERAGEMASS 518.46674 | + | AVERAGEMASS 518.46674 |
− | SMILES O=C(CC(O)=O)OCC(C(O)1)OC(Oc(c5)cc(c(c5)2)OCC(c34)C(Oc3cc(cc4)OC)2)C(C1O)O | + | SMILES O=C(CC(O)=O)OCC(C(O)1)OC(Oc(c5)cc(c(c5)2)OCC(c34)C(Oc3cc(cc4)OC)2)C(C1O)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/ 37 41 0 0 0 0 0 0 0 0999 V2000 -1.0568 -0.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5005 -0.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0558 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6119 -0.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6119 -1.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1887 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7654 -1.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7654 -0.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1887 -0.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5002 -1.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0558 -1.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1925 -2.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3418 -1.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3418 -2.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8931 -2.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4445 -2.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4445 -1.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8931 -1.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1607 -0.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8144 -0.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3158 -0.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7962 -0.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1843 -0.2172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6936 -0.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8589 -0.4960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3542 -0.7923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0301 -1.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1786 0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5819 0.6197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6011 1.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1626 1.7897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8699 1.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8699 2.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3384 2.8496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2722 2.9243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8589 -2.9243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0620 -2.7107 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 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 10 11 2 0 0 0 0 11 5 1 0 0 0 0 6 12 1 0 0 0 0 7 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 1 1 0 0 0 0 14 12 1 0 0 0 0 24 28 1 0 0 0 0 28 29 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 30 29 1 0 0 0 0 16 36 1 0 0 0 0 36 37 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 36 37 M SBL 1 1 40 M SMT 1 OCH3 M SBV 1 40 -5.7108 3.4283 S SKP 8 ID FLID1AGS0002 KNApSAcK_ID C00010184 NAME Medicarpin 3-O-(6'-malonylgluclside) CAS_RN 131653-24-2 FORMULA C25H26O12 EXACTMASS 518.1424262959999 AVERAGEMASS 518.46674 SMILES O=C(CC(O)=O)OCC(C(O)1)OC(Oc(c5)cc(c(c5)2)OCC(c34)C(Oc3cc(cc4)OC)2)C(C1O)O M END