Mol:FL1A98GS0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
− | -0.7127 -1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7127 -1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7127 -2.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7127 -2.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0017 -2.9098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0017 -2.9098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0017 -1.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0017 -1.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7162 -2.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7162 -2.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7162 -1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7162 -1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4304 -1.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4304 -1.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1468 -1.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1468 -1.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1459 -2.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1459 -2.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7292 -3.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7292 -3.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8613 -1.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8613 -1.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8613 -0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8613 -0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5763 -0.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5763 -0.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5761 0.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5761 0.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8613 1.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8613 1.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1472 0.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1472 0.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1474 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1474 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6165 -0.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6165 -0.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8752 0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8752 0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8230 -0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8230 -0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0148 -0.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0148 -0.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5953 -0.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5953 -0.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5432 -0.0923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5432 -0.0923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2650 0.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2650 0.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1454 0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1454 0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4522 1.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4522 1.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5227 0.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5227 0.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1099 0.2385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1099 0.2385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4527 -0.8574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4527 -0.8574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9287 2.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9287 2.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8765 1.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8765 1.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0684 1.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0684 1.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4583 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4583 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5104 1.8576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5104 1.8576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3185 2.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3185 2.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1989 2.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1989 2.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5058 3.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5058 3.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5763 2.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5763 2.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1634 2.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1634 2.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5063 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5063 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 3 5 2 0 0 0 0 | + | 3 5 2 0 0 0 0 |
− | 6 4 2 0 0 0 0 | + | 6 4 2 0 0 0 0 |
− | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 7 1 0 0 0 0 | + | 6 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 |
− | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
− | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
− | 8 11 2 0 0 0 0 | + | 8 11 2 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 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 |
− | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
− | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
− | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
− | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 19 1 0 0 0 0 | + | 24 19 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 |
− | 19 27 1 0 0 0 0 | + | 19 27 1 0 0 0 0 |
− | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
− | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
− | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
− | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
− | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | 30 38 1 0 0 0 0 | + | 30 38 1 0 0 0 0 |
− | 31 39 1 0 0 0 0 | + | 31 39 1 0 0 0 0 |
− | 32 40 1 0 0 0 0 | + | 32 40 1 0 0 0 0 |
− | 33 26 1 0 0 0 0 | + | 33 26 1 0 0 0 0 |
− | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1A98GS0001 | + | ID FL1A98GS0001 |
− | KNApSAcK_ID C00014663 | + | KNApSAcK_ID C00014663 |
− | NAME Dalmaisione D;2'-Hydroxyaurone 2'-O-glucosyl-(1'''->6'')-glucoside;2'-Hydroxyaurone 2'-gentiobioside | + | NAME Dalmaisione D;2'-Hydroxyaurone 2'-O-glucosyl-(1'''->6'')-glucoside;2'-Hydroxyaurone 2'-gentiobioside |
− | CAS_RN 418810-16-9 | + | CAS_RN 418810-16-9 |
− | FORMULA C27H30O13 | + | FORMULA C27H30O13 |
− | EXACTMASS 562.168641046 | + | EXACTMASS 562.168641046 |
− | AVERAGEMASS 562.5193 | + | AVERAGEMASS 562.5193 |
− | SMILES O=c(c(=Cc(c5)c(ccc5)OC(O3)C(C(C(O)C3COC(C4O)OC(C(C(O)4)O)CO)O)O)2)c(c1o2)cccc1 | + | SMILES O=c(c(=Cc(c5)c(ccc5)OC(O3)C(C(C(O)C3COC(C4O)OC(C(C(O)4)O)CO)O)O)2)c(c1o2)cccc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 40 44 0 0 0 0 0 0 0 0999 V2000 -0.7127 -1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7127 -2.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0017 -2.9098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0017 -1.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7162 -2.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7162 -1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4304 -1.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1468 -1.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1459 -2.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -3.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8613 -1.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8613 -0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5763 -0.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5761 0.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8613 1.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1472 0.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1474 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6165 -0.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8752 0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0148 -0.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5953 -0.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5432 -0.0923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 0.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1454 0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4522 1.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5227 0.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1099 0.2385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4527 -0.8574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9287 2.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8765 1.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0684 1.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5104 1.8576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3185 2.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1989 2.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5058 3.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5763 2.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1634 2.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5063 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 9 10 2 0 0 0 0 8 11 2 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 17 2 0 0 0 0 17 12 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 30 38 1 0 0 0 0 31 39 1 0 0 0 0 32 40 1 0 0 0 0 33 26 1 0 0 0 0 18 22 1 0 0 0 0 S SKP 8 ID FL1A98GS0001 KNApSAcK_ID C00014663 NAME Dalmaisione D;2'-Hydroxyaurone 2'-O-glucosyl-(1'''->6'')-glucoside;2'-Hydroxyaurone 2'-gentiobioside CAS_RN 418810-16-9 FORMULA C27H30O13 EXACTMASS 562.168641046 AVERAGEMASS 562.5193 SMILES O=c(c(=Cc(c5)c(ccc5)OC(O3)C(C(C(O)C3COC(C4O)OC(C(C(O)4)O)CO)O)O)2)c(c1o2)cccc1 M END