Mol:FL2FA9NM0014
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 |
− | -1.4791 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4791 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9582 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9582 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4373 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4373 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4373 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4373 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9582 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9582 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4791 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4791 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0836 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0836 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6045 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6045 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6045 0.1195 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.6045 0.1195 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 0.0836 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0836 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1248 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1248 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0836 -1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0836 -1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6592 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6592 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1935 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1935 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1935 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1935 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6592 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6592 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1248 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1248 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9582 1.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9582 1.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9582 -1.7827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9582 -1.7827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9582 -2.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9582 -2.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8363 0.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8363 0.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3363 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3363 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1935 -0.3699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1935 -0.3699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8217 -1.1479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8217 -1.1479 0.0000 O 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 |
− | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
− | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
− | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
− | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
− | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | M STY 1 3 SUP | + | M STY 1 3 SUP |
− | M SLB 1 3 3 | + | M SLB 1 3 3 |
− | M SAL 3 2 23 24 | + | M SAL 3 2 23 24 |
− | M SBL 3 1 25 | + | M SBL 3 1 25 |
− | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
− | M SVB 3 25 -2.1935 -0.3699 | + | M SVB 3 25 -2.1935 -0.3699 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
− | M SBL 2 1 23 | + | M SBL 2 1 23 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SVB 2 23 -1.8363 0.7382 | + | M SVB 2 23 -1.8363 0.7382 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
− | M SBL 1 1 21 | + | M SBL 1 1 21 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 21 -1.4125 -0.9329 | + | M SVB 1 21 -1.4125 -0.9329 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL2FA9NM0014 | + | ID FL2FA9NM0014 |
− | KNApSAcK_ID C00008483 | + | KNApSAcK_ID C00008483 |
− | NAME 5-O-Methylleridol | + | NAME 5-O-Methylleridol |
− | CAS_RN 143084-67-7 | + | CAS_RN 143084-67-7 |
− | FORMULA C19H20O5 | + | FORMULA C19H20O5 |
− | EXACTMASS 328.13107375 | + | EXACTMASS 328.13107375 |
− | AVERAGEMASS 328.3591 | + | AVERAGEMASS 328.3591 |
− | SMILES O(C2c(c3)cccc3)c(c1C)c(C(=O)C2)c(c(c1OC)CO)OC | + | SMILES O(C2c(c3)cccc3)c(c1C)c(C(=O)C2)c(c(c1OC)CO)OC |
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 -1.4791 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4373 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4373 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4791 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0836 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6045 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6045 0.1195 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0836 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1248 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0836 -1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6592 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1935 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1935 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6592 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1248 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 1.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 -1.7827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 -2.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8363 0.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3363 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1935 -0.3699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8217 -1.1479 0.0000 O 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 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 11 1 0 0 0 0 5 18 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 23 24 M SBL 3 1 25 M SMT 3 CH2OH M SVB 3 25 -2.1935 -0.3699 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 -1.8363 0.7382 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 -1.4125 -0.9329 S SKP 8 ID FL2FA9NM0014 KNApSAcK_ID C00008483 NAME 5-O-Methylleridol CAS_RN 143084-67-7 FORMULA C19H20O5 EXACTMASS 328.13107375 AVERAGEMASS 328.3591 SMILES O(C2c(c3)cccc3)c(c1C)c(C(=O)C2)c(c(c1OC)CO)OC M END