Mol:FL6FDANC0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5392 1.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5392 1.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0901 1.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0901 1.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0901 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0901 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9884 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9884 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9884 1.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9884 1.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4376 0.5578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -0.4376 0.5578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 0.1132 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1132 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1132 1.5119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.1132 1.5119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.4376 1.8299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4376 1.8299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7459 1.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7459 1.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3132 1.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3132 1.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8805 1.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8805 1.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8805 2.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8805 2.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3132 2.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3132 2.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7459 2.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7459 2.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5392 0.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5392 0.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4473 2.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4473 2.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4376 -0.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4376 -0.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1125 -0.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1125 -0.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1125 -1.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1125 -1.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4500 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4500 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4500 -2.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4500 -2.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1125 -2.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1125 -2.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6751 -2.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6751 -2.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6751 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6751 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1125 -2.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1125 -2.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4473 2.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4473 2.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9473 2.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9473 2.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9786 0.3990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9786 0.3990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2642 -0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2642 -0.0135 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 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 1 1 0 0 0 0 | + | 5 1 1 0 0 0 0 |
| − | 4 6 1 0 0 0 0 | + | 4 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 |
| − | 9 5 1 0 0 0 0 | + | 9 5 1 0 0 0 0 |
| − | 8 10 1 1 0 0 0 | + | 8 10 1 1 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 3 16 2 0 0 0 0 | + | 3 16 2 0 0 0 0 |
| − | 16 4 1 0 0 0 0 | + | 16 4 1 0 0 0 0 |
| − | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
| − | 6 18 1 6 0 0 0 | + | 6 18 1 6 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 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 |
| − | 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 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 2 27 1 0 0 0 0 | + | 2 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 16 29 1 0 0 0 0 | + | 16 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 29 30 | + | M SAL 2 2 29 30 |
| − | M SBL 2 1 32 | + | M SBL 2 1 32 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 32 -1.9786 0.399 | + | M SVB 2 32 -1.9786 0.399 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 30 | + | M SBL 1 1 30 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 30 -2.4473 2.1306 | + | M SVB 1 30 -2.4473 2.1306 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6FDANC0001 | + | ID FL6FDANC0001 |
| − | KNApSAcK_ID C00009320 | + | KNApSAcK_ID C00009320 |
| − | NAME 4'-Hydroxy-4-(4-hydroxystyryl)-5,7-dimethoxyflavan | + | NAME 4'-Hydroxy-4-(4-hydroxystyryl)-5,7-dimethoxyflavan |
| − | CAS_RN 63524-12-9 | + | CAS_RN 63524-12-9 |
| − | FORMULA C25H24O5 | + | FORMULA C25H24O5 |
| − | EXACTMASS 404.162373878 | + | EXACTMASS 404.162373878 |
| − | AVERAGEMASS 404.45506 | + | AVERAGEMASS 404.45506 |
| − | SMILES C(=Cc(c4)ccc(O)c4)[C@H](c21)C[C@H](c(c3)ccc(c3)O)Oc(cc(OC)cc2OC)1 | + | SMILES C(=Cc(c4)ccc(O)c4)[C@H](c21)C[C@H](c(c3)ccc(c3)O)Oc(cc(OC)cc2OC)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.5392 1.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0901 1.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0901 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9884 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9884 1.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4376 0.5578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1132 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1132 1.5119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4376 1.8299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7459 1.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3132 1.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8805 1.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8805 2.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3132 2.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7459 2.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5392 0.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4473 2.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4376 -0.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1125 -0.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1125 -1.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4500 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4500 -2.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1125 -2.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6751 -2.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6751 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1125 -2.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4473 2.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9473 2.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9786 0.3990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2642 -0.0135 0.0000 C 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
4 5 2 0 0 0 0
5 1 1 0 0 0 0
4 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
9 5 1 0 0 0 0
8 10 1 1 0 0 0
10 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 10 1 0 0 0 0
3 16 2 0 0 0 0
16 4 1 0 0 0 0
13 17 1 0 0 0 0
6 18 1 6 0 0 0
18 19 2 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
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 20 1 0 0 0 0
23 26 1 0 0 0 0
2 27 1 0 0 0 0
27 28 1 0 0 0 0
16 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 29 30
M SBL 2 1 32
M SMT 2 OCH3
M SVB 2 32 -1.9786 0.399
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 30
M SMT 1 OCH3
M SVB 1 30 -2.4473 2.1306
S SKP 8
ID FL6FDANC0001
KNApSAcK_ID C00009320
NAME 4'-Hydroxy-4-(4-hydroxystyryl)-5,7-dimethoxyflavan
CAS_RN 63524-12-9
FORMULA C25H24O5
EXACTMASS 404.162373878
AVERAGEMASS 404.45506
SMILES C(=Cc(c4)ccc(O)c4)[C@H](c21)C[C@H](c(c3)ccc(c3)O)Oc(cc(OC)cc2OC)1
M END
