Mol:FLIFHXNF0004
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 28 32 0 0 0 0 0 0 0 0999 V2000 | + | 28 32 0 0 0 0 0 0 0 0999 V2000 |
− | -1.9669 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9669 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9669 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9669 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4106 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4106 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8543 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8543 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8543 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8543 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4106 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4106 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2980 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2980 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2583 0.4859 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.2583 0.4859 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 0.2583 1.1282 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.2583 1.1282 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -0.2980 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2980 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8144 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8144 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8144 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8144 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4092 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4092 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0040 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0040 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0040 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0040 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4092 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4092 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6662 -0.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6662 -0.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4362 1.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4362 1.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8146 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8146 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5778 1.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5778 1.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9554 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9554 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5778 0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5778 0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2053 0.1320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2053 0.1320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1123 -0.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1123 -0.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0040 -0.5220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0040 -0.5220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0040 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0040 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9918 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9918 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7063 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7063 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
− | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
− | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
− | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
− | 19 9 1 0 0 0 0 | + | 19 9 1 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
− | 22 2 1 0 0 0 0 | + | 22 2 1 0 0 0 0 |
− | 8 23 1 0 0 0 0 | + | 8 23 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 13 27 1 0 0 0 0 | + | 13 27 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 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 27 28 | + | M SAL 3 2 27 28 |
− | M SBL 3 1 31 | + | M SBL 3 1 31 |
− | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
− | M SVB 3 31 0.9918 -1.0369 | + | M SVB 3 31 0.9918 -1.0369 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 25 26 | + | M SAL 2 2 25 26 |
− | M SBL 2 1 29 | + | M SBL 2 1 29 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SVB 2 29 2.2409 -0.7282 | + | M SVB 2 29 2.2409 -0.7282 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 23 24 | + | M SAL 1 2 23 24 |
− | M SBL 1 1 27 | + | M SBL 1 1 27 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 27 0.0606 0.1875 | + | M SVB 1 27 0.0606 0.1875 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIFHXNF0004 | + | ID FLIFHXNF0004 |
− | KNApSAcK_ID C00009585 | + | KNApSAcK_ID C00009585 |
− | NAME Neobanone;12a-Methoxyerosone | + | NAME Neobanone;12a-Methoxyerosone |
− | CAS_RN 61419-05-4 | + | CAS_RN 61419-05-4 |
− | FORMULA C21H18O7 | + | FORMULA C21H18O7 |
− | EXACTMASS 382.10525293 | + | EXACTMASS 382.10525293 |
− | AVERAGEMASS 382.36342 | + | AVERAGEMASS 382.36342 |
− | SMILES O=C(C34OC)c(c(OC3COc(c5)c4cc(OC)c(OC)5)1)cc(c2)c(oc2)c1 | + | SMILES O=C(C34OC)c(c(OC3COc(c5)c4cc(OC)c(OC)5)1)cc(c2)c(oc2)c1 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 28 32 0 0 0 0 0 0 0 0999 V2000 -1.9669 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9669 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4106 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8543 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8543 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4106 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2583 0.4859 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2583 1.1282 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2980 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8144 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8144 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4092 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4092 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6662 -0.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4362 1.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8146 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5778 1.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9554 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5778 0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2053 0.1320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1123 -0.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0040 -0.5220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9918 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7063 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 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 11 2 0 0 0 0 7 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 9 1 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 2 1 0 0 0 0 8 23 1 0 0 0 0 23 24 1 0 0 0 0 14 25 1 0 0 0 0 25 26 1 0 0 0 0 13 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 27 28 M SBL 3 1 31 M SMT 3 OCH3 M SVB 3 31 0.9918 -1.0369 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 25 26 M SBL 2 1 29 M SMT 2 OCH3 M SVB 2 29 2.2409 -0.7282 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 23 24 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 0.0606 0.1875 S SKP 8 ID FLIFHXNF0004 KNApSAcK_ID C00009585 NAME Neobanone;12a-Methoxyerosone CAS_RN 61419-05-4 FORMULA C21H18O7 EXACTMASS 382.10525293 AVERAGEMASS 382.36342 SMILES O=C(C34OC)c(c(OC3COc(c5)c4cc(OC)c(OC)5)1)cc(c2)c(oc2)c1 M END