Mol:FLIAAANF0005
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
− | -1.0677 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0677 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0677 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0677 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5114 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5114 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0449 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0449 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0449 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0449 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5114 0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5114 0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6012 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6012 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1575 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1575 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1575 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1575 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6012 0.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6012 0.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7136 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7136 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7136 -1.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7136 -1.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3084 -2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3084 -2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9032 -1.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9032 -1.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9032 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9032 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3084 -0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3084 -0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6012 -1.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6012 -1.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5114 -1.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5114 -1.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5114 0.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5114 0.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0753 1.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0753 1.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0753 1.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0753 1.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5121 2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5121 2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6386 2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6386 2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6786 0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6786 0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0562 -0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0562 -0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6786 -0.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6786 -0.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6983 -0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6983 -0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0194 0.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0194 0.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0194 -1.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0194 -1.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4974 -0.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4974 -0.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4974 -2.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4974 -2.1214 0.0000 O 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 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 |
− | 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 |
− | 1 2 1 0 0 0 0 | + | 1 2 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 |
− | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
− | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 2 1 0 0 0 0 | + | 26 2 1 0 0 0 0 |
− | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
− | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
− | 14 31 1 0 0 0 0 | + | 14 31 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIAAANF0005 | + | ID FLIAAANF0005 |
− | KNApSAcK_ID C00009945 | + | KNApSAcK_ID C00009945 |
− | NAME Senegalensin | + | NAME Senegalensin |
− | CAS_RN 139051-61-9 | + | CAS_RN 139051-61-9 |
− | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
− | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
− | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
− | SMILES O(C4C(C)(C)O)c(c(CC=C(C)C)1)c(C4)c(c(C2=O)c1OC=C(c(c3)ccc(c3)O)2)O | + | SMILES O(C4C(C)(C)O)c(c(CC=C(C)C)1)c(C4)c(c(C2=O)c1OC=C(c(c3)ccc(c3)O)2)O |
M END | M END | ||
− |
Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.0677 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0677 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5114 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0449 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0449 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5114 0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6012 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1575 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1575 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6012 0.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7136 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7136 -1.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3084 -2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9032 -1.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9032 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3084 -0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6012 -1.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5114 -1.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5114 0.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0753 1.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0753 1.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5121 2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6386 2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6786 0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0562 -0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6786 -0.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6983 -0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0194 0.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0194 -1.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4974 -0.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4974 -2.1214 0.0000 O 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 2 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 1 2 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 6 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 1 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 2 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 14 31 1 0 0 0 0 S SKP 8 ID FLIAAANF0005 KNApSAcK_ID C00009945 NAME Senegalensin CAS_RN 139051-61-9 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES O(C4C(C)(C)O)c(c(CC=C(C)C)1)c(C4)c(c(C2=O)c1OC=C(c(c3)ccc(c3)O)2)O M END