Mol:FL2FALNI0005
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
− | -1.4873 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4873 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4873 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4873 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9310 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9310 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3747 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3747 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3747 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3747 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9310 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9310 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1816 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1816 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7379 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7379 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7379 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7379 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1816 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1816 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2940 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2940 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8610 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8610 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4280 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4280 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4280 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4280 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8610 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8610 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2940 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2940 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1816 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1816 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9310 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9310 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0436 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0436 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9310 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9310 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4871 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4871 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4871 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4871 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0432 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0432 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9310 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9310 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7272 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7272 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0434 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0434 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5995 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5995 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1544 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1544 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7093 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7093 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1544 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1544 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9948 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9948 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7093 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7093 0.5696 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 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 |
− | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
− | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
− | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
− | 6 20 1 0 0 0 0 | + | 6 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 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
− | 16 25 1 0 0 0 0 | + | 16 25 1 0 0 0 0 |
− | 2 26 1 0 0 0 0 | + | 2 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
− | 14 31 1 0 0 0 0 | + | 14 31 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
− | M SBL 1 1 33 | + | M SBL 1 1 33 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 33 -7.5370 5.3276 | + | M SBV 1 33 -7.5370 5.3276 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL2FALNI0005 | + | ID FL2FALNI0005 |
− | KNApSAcK_ID C00008358 | + | KNApSAcK_ID C00008358 |
− | NAME Flemiflavanone A | + | NAME Flemiflavanone A |
− | CAS_RN 71306-29-1 | + | CAS_RN 71306-29-1 |
− | FORMULA C26H30O6 | + | FORMULA C26H30O6 |
− | EXACTMASS 438.204238692 | + | EXACTMASS 438.204238692 |
− | AVERAGEMASS 438.51279999999997 | + | AVERAGEMASS 438.51279999999997 |
− | SMILES c(OC)(c3)ccc(c3O)C(C2)Oc(c(C2=O)1)c(CC=C(C)C)c(c(CC=C(C)C)c(O)1)O | + | SMILES c(OC)(c3)ccc(c3O)C(C2)Oc(c(C2=O)1)c(CC=C(C)C)c(c(CC=C(C)C)c(O)1)O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -1.4873 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4873 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3747 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3747 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1816 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7379 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7379 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1816 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1816 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0436 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4871 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4871 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0432 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7272 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0434 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5995 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1544 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7093 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1544 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9948 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7093 0.5696 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 19 1 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 16 25 1 0 0 0 0 2 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 14 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 33 M SMT 1 OCH3 M SBV 1 33 -7.5370 5.3276 S SKP 8 ID FL2FALNI0005 KNApSAcK_ID C00008358 NAME Flemiflavanone A CAS_RN 71306-29-1 FORMULA C26H30O6 EXACTMASS 438.204238692 AVERAGEMASS 438.51279999999997 SMILES c(OC)(c3)ccc(c3O)C(C2)Oc(c(C2=O)1)c(CC=C(C)C)c(c(CC=C(C)C)c(O)1)O M END