Mol:FLIAALNI0008
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 |
− | -2.3409 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3409 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3409 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3409 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7846 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7846 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2283 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2283 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2283 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2283 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7846 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7846 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6720 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6720 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1157 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1157 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1157 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1157 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6720 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6720 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4404 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4404 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4404 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4404 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0352 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0352 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6300 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6300 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6300 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6300 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0352 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0352 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6720 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6720 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7846 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7846 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8972 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8972 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2242 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2242 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8970 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8970 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8970 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8970 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4519 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4519 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4519 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4519 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0068 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0068 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4960 0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4960 0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8184 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8184 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4126 0.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4126 0.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4126 1.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4126 1.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0068 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0068 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3323 1.0861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3323 1.0861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7857 1.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7857 1.9774 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 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 |
− | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
− | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
− | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
− | 15 26 1 0 0 0 0 | + | 15 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 |
− | 16 31 1 0 0 0 0 | + | 16 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 SVB 1 33 1.3323 1.0861 | + | M SVB 1 33 1.3323 1.0861 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIAALNI0008 | + | ID FLIAALNI0008 |
− | KNApSAcK_ID C00009839 | + | KNApSAcK_ID C00009839 |
− | NAME 2'-Methoxylupalbigenin;5,7,4'-Trihydroxy-2'-methoxy-6,3'-diprenylisoflavone | + | NAME 2'-Methoxylupalbigenin;5,7,4'-Trihydroxy-2'-methoxy-6,3'-diprenylisoflavone |
− | CAS_RN 89143-44-2 | + | CAS_RN 89143-44-2 |
− | FORMULA C26H28O6 | + | FORMULA C26H28O6 |
− | EXACTMASS 436.188588628 | + | EXACTMASS 436.188588628 |
− | AVERAGEMASS 436.49692 | + | AVERAGEMASS 436.49692 |
− | SMILES Oc(c3CC=C(C)C)ccc(c3OC)C(=C2)C(=O)c(c(O)1)c(O2)cc(c(CC=C(C)C)1)O | + | SMILES Oc(c3CC=C(C)C)ccc(c3OC)C(=C2)C(=O)c(c(O)1)c(O2)cc(c(CC=C(C)C)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 -2.3409 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3409 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7846 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2283 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2283 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7846 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1157 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1157 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4404 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4404 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7846 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8972 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2242 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8970 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8970 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4519 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4519 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0068 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8184 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4126 0.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4126 1.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0068 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3323 1.0861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7857 1.9774 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 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 1 19 1 0 0 0 0 14 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 15 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 16 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 SVB 1 33 1.3323 1.0861 S SKP 8 ID FLIAALNI0008 KNApSAcK_ID C00009839 NAME 2'-Methoxylupalbigenin;5,7,4'-Trihydroxy-2'-methoxy-6,3'-diprenylisoflavone CAS_RN 89143-44-2 FORMULA C26H28O6 EXACTMASS 436.188588628 AVERAGEMASS 436.49692 SMILES Oc(c3CC=C(C)C)ccc(c3OC)C(=C2)C(=O)c(c(O)1)c(O2)cc(c(CC=C(C)C)1)O M END