Mol:FL3FECNS0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.7565 -1.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7565 -1.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2303 -1.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2303 -1.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2863 -0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2863 -0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8685 -0.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8685 -0.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3946 -0.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3946 -0.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3387 -1.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3387 -1.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9245 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9245 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5066 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5066 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0328 0.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0328 0.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9768 -0.4165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9768 -0.4165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5141 0.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5141 0.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6148 0.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6148 0.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6718 1.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6718 1.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2652 1.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2652 1.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.8015 1.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.8015 1.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7444 0.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7444 0.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1511 0.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1511 0.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7005 -2.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7005 -2.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7603 -0.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7603 -0.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.3751 1.8673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.3751 1.8673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.3789 0.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.3789 0.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -7.3671 0.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -7.3671 0.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0112 -1.9172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0112 -1.9172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9394 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9394 -1.0952 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 -2.5983 -0.6877 | + | M SVB 2 25 -2.5983 -0.6877 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 1.7479 1.7424 | + | M SVB 1 23 1.7479 1.7424 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FECNS0009 | + | ID FL3FECNS0009 |
| − | KNApSAcK_ID C00003890 | + | KNApSAcK_ID C00003890 |
| − | NAME Jaceosidin | + | NAME Jaceosidin |
| − | CAS_RN 18085-97-7 | + | CAS_RN 18085-97-7 |
| − | FORMULA C17H14O7 | + | FORMULA C17H14O7 |
| − | EXACTMASS 330.073952802 | + | EXACTMASS 330.073952802 |
| − | AVERAGEMASS 330.28886 | + | AVERAGEMASS 330.28886 |
| − | SMILES COc(c(O)3)cc(cc3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(OC)c(O)1 | + | SMILES COc(c(O)3)cc(cc3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(OC)c(O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -2.7565 -1.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2303 -1.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2863 -0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8685 -0.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3946 -0.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3387 -1.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9245 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5066 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0328 0.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9768 -0.4165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5141 0.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6148 0.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6718 1.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2652 1.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8015 1.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7444 0.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1511 0.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7005 -2.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7603 -0.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3751 1.8673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3789 0.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3671 0.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0112 -1.9172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9394 -1.0952 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 3 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 2 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 25 M SMT 2 OCH3 M SVB 2 25 -2.5983 -0.6877 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 1.7479 1.7424 S SKP 8 ID FL3FECNS0009 KNApSAcK_ID C00003890 NAME Jaceosidin CAS_RN 18085-97-7 FORMULA C17H14O7 EXACTMASS 330.073952802 AVERAGEMASS 330.28886 SMILES COc(c(O)3)cc(cc3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(OC)c(O)1 M END
