Mol:FL4DCBNC0002
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 |
| − | 3.5863 0.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5863 0.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8691 -0.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8691 -0.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5890 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5890 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8732 1.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8732 1.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1605 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1605 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1553 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1553 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4444 1.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4444 1.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7293 1.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7293 1.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7285 0.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7285 0.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4382 -0.0877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4382 -0.0877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8222 -1.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8222 -1.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8193 -1.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8193 -1.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1032 -2.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1032 -2.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6082 -1.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6082 -1.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6078 -1.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6078 -1.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1091 -0.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1091 -0.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4533 2.3873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4533 2.3873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8678 2.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8678 2.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2976 -0.0993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2976 -0.0993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1853 -2.3124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1853 -2.3124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0841 1.2918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0841 1.2918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8874 -1.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8874 -1.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0745 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0745 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5404 0.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5404 0.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0452 0.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0452 0.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7227 2.0574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7227 2.0574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9625 0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9625 0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6028 -0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6028 -0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3382 0.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3382 0.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3442 1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3442 1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0617 1.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0617 1.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7731 1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7731 1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7671 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7671 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0496 -0.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0496 -0.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7143 1.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7143 1.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0459 1.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0459 1.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4563 1.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4563 1.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0745 1.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0745 1.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4350 -0.0646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4350 -0.0646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0086 0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0086 0.2610 0.0000 C 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 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 4 18 1 0 0 0 0 | + | 4 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 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 9 1 0 0 0 0 | + | 25 9 1 0 0 0 0 |
| − | 8 26 1 6 0 0 0 | + | 8 26 1 6 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 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 34 29 1 0 0 0 0 | + | 34 29 1 0 0 0 0 |
| − | 30 35 1 0 0 0 0 | + | 30 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 25 27 1 1 0 0 0 | + | 25 27 1 1 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DCBNC0002 | + | ID FL4DCBNC0002 |
| − | KNApSAcK_ID C00014404 | + | KNApSAcK_ID C00014404 |
| − | NAME Rel-5-Hydroxy-7,4'-dimethoxy-3''S-(2,4,5-trimethoxy-Estyryl)tetrahydrofuro[4''R,5''R:2,3]flavanonol | + | NAME Rel-5-Hydroxy-7,4'-dimethoxy-3''S-(2,4,5-trimethoxy-Estyryl)tetrahydrofuro[4''R,5''R:2,3]flavanonol |
| − | CAS_RN 412956-25-3 | + | CAS_RN 412956-25-3 |
| − | FORMULA C30H30O10 | + | FORMULA C30H30O10 |
| − | EXACTMASS 550.18389718 | + | EXACTMASS 550.18389718 |
| − | AVERAGEMASS 550.5532000000001 | + | AVERAGEMASS 550.5532000000001 |
| − | SMILES c(C(C3(O)4)(C(C=Cc(c5)c(cc(c(OC)5)OC)OC)CO4)Oc(c2C(=O)3)cc(cc2O)OC)(c1)ccc(c1)OC | + | SMILES c(C(C3(O)4)(C(C=Cc(c5)c(cc(c(OC)5)OC)OC)CO4)Oc(c2C(=O)3)cc(cc2O)OC)(c1)ccc(c1)OC |
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
3.5863 0.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8691 -0.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5890 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8732 1.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1605 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1553 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4444 1.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7293 1.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7285 0.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4382 -0.0877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8222 -1.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8193 -1.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1032 -2.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6082 -1.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6078 -1.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1091 -0.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4533 2.3873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8678 2.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2976 -0.0993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1853 -2.3124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0841 1.2918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8874 -1.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0745 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5404 0.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0452 0.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7227 2.0574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9625 0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6028 -0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3382 0.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3442 1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0617 1.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7731 1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7671 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0496 -0.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7143 1.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0459 1.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4563 1.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0745 1.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4350 -0.0646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0086 0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 2 1 0 0 0 0
5 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 6 1 0 0 0 0
9 11 1 6 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
4 18 1 0 0 0 0
1 19 1 0 0 0 0
14 20 1 0 0 0 0
8 21 1 0 0 0 0
20 22 1 0 0 0 0
19 23 1 0 0 0 0
21 24 1 0 0 0 0
24 25 1 0 0 0 0
25 9 1 0 0 0 0
8 26 1 6 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 29 1 0 0 0 0
30 35 1 0 0 0 0
35 36 1 0 0 0 0
32 37 1 0 0 0 0
37 38 1 0 0 0 0
33 39 1 0 0 0 0
39 40 1 0 0 0 0
25 27 1 1 0 0 0
S SKP 8
ID FL4DCBNC0002
KNApSAcK_ID C00014404
NAME Rel-5-Hydroxy-7,4'-dimethoxy-3''S-(2,4,5-trimethoxy-Estyryl)tetrahydrofuro[4''R,5''R:2,3]flavanonol
CAS_RN 412956-25-3
FORMULA C30H30O10
EXACTMASS 550.18389718
AVERAGEMASS 550.5532000000001
SMILES c(C(C3(O)4)(C(C=Cc(c5)c(cc(c(OC)5)OC)OC)CO4)Oc(c2C(=O)3)cc(cc2O)OC)(c1)ccc(c1)OC
M END
