Mol:FLIA1ANM0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
− | -2.0045 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0045 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4482 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8919 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8919 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4482 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3356 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2207 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2207 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3356 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5606 1.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 1.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7768 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7768 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3716 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9664 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9664 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3716 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3356 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5606 -0.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5606 -0.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9542 -1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9542 -1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6687 -1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 -1.4494 0.0000 O 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 |
− | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
− | 8 12 1 0 0 0 0 | + | 8 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 |
− | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
− | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
− | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
− | 20 21 2 0 0 0 0 | + | 20 21 2 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 20 21 | + | M SAL 1 2 20 21 |
− | M SBL 1 1 22 | + | M SBL 1 1 22 |
− | M SMT 1 CHO | + | M SMT 1 CHO |
− | M SBV 1 22 -6.3365 3.3698 | + | M SBV 1 22 -6.3365 3.3698 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIA1ANM0001 | + | ID FLIA1ANM0001 |
− | KNApSAcK_ID C00009386 | + | KNApSAcK_ID C00009386 |
− | NAME Corylinal | + | NAME Corylinal |
− | CAS_RN 65615-46-5 | + | CAS_RN 65615-46-5 |
− | FORMULA C16H10O5 | + | FORMULA C16H10O5 |
− | EXACTMASS 282.05282343 | + | EXACTMASS 282.05282343 |
− | AVERAGEMASS 282.2476 | + | AVERAGEMASS 282.2476 |
− | SMILES O=Cc(c(O)3)cc(cc3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1 | + | SMILES O=Cc(c(O)3)cc(cc3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 21 23 0 0 0 0 0 0 0 0999 V2000 -2.0045 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0045 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4482 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8919 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8919 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4482 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2207 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2207 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5606 1.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3716 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3716 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5606 -0.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 -1.4494 0.0000 O 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 1 11 1 0 0 0 0 8 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 7 18 2 0 0 0 0 15 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 2 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 CHO M SBV 1 22 -6.3365 3.3698 S SKP 8 ID FLIA1ANM0001 KNApSAcK_ID C00009386 NAME Corylinal CAS_RN 65615-46-5 FORMULA C16H10O5 EXACTMASS 282.05282343 AVERAGEMASS 282.2476 SMILES O=Cc(c(O)3)cc(cc3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1 M END