Mol:FL4DCBNC0001
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 |
| − | -3.7200 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7200 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.4884 2.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4884 2.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1967 1.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1967 1.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.4705 0.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4705 0.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6022 -2.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6022 -2.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0160 -1.9837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0160 -1.9837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4283 0.4131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4283 0.4131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7764 2.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7764 2.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -5.2086 -0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2086 -0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4034 -0.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4034 -0.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0869 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0869 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8692 -1.7697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8692 -1.7697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1031 -0.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1031 -0.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.4784 -0.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4784 -0.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4784 -1.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4784 -1.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1929 -2.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1929 -2.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9074 -1.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9074 -1.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9074 -0.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9074 -0.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1929 -0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1929 -0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8458 -2.1065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8458 -2.1065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1802 -1.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1802 -1.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5877 -2.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5877 -2.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2086 -1.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2086 -1.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5781 -0.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5781 -0.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 |
| − | 24 27 1 1 0 0 0 | + | 24 27 1 1 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DCBNC0001 | + | ID FL4DCBNC0001 |
| − | KNApSAcK_ID C00014403 | + | KNApSAcK_ID C00014403 |
| − | NAME Rel-5-hydroxy-7,4'-dimethoxy-2''S-(2,4,5-trimethoxy-E-styryl)-tetrahydrofuro[4''R,5''R:2,3]flavanonol | + | NAME Rel-5-hydroxy-7,4'-dimethoxy-2''S-(2,4,5-trimethoxy-E-styryl)-tetrahydrofuro[4''R,5''R:2,3]flavanonol |
| − | CAS_RN 412928-29-1 | + | CAS_RN 412928-29-1 |
| − | FORMULA C30H30O10 | + | FORMULA C30H30O10 |
| − | EXACTMASS 550.18389718 | + | EXACTMASS 550.18389718 |
| − | AVERAGEMASS 550.5532000000001 | + | AVERAGEMASS 550.5532000000001 |
| − | SMILES c(c(OC)1)c(OC)c(cc1C=CC(O5)CC(C(O)35)(c(c4)ccc(OC)c4)Oc(c2)c(C3=O)c(cc2OC)O)OC | + | SMILES c(c(OC)1)c(OC)c(cc1C=CC(O5)CC(C(O)35)(c(c4)ccc(OC)c4)Oc(c2)c(C3=O)c(cc2OC)O)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
-3.7200 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9999 0.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7288 -0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0160 -1.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3004 -0.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2891 -0.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5873 -1.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8692 -0.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8624 -0.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5691 0.3806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2396 0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2307 1.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4884 2.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1967 1.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1904 0.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4705 0.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6022 -2.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0160 -1.9837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4283 0.4131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7764 2.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0569 -1.0099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4755 1.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2086 -0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4034 -0.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0869 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8692 -1.7697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1031 -0.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7461 -0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4784 -0.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4784 -1.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1929 -2.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9074 -1.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9074 -0.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1929 -0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8458 -2.1065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1802 -1.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5877 -2.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2086 -1.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5781 -0.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1493 -0.8587 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
24 27 1 1 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
S SKP 8
ID FL4DCBNC0001
KNApSAcK_ID C00014403
NAME Rel-5-hydroxy-7,4'-dimethoxy-2''S-(2,4,5-trimethoxy-E-styryl)-tetrahydrofuro[4''R,5''R:2,3]flavanonol
CAS_RN 412928-29-1
FORMULA C30H30O10
EXACTMASS 550.18389718
AVERAGEMASS 550.5532000000001
SMILES c(c(OC)1)c(OC)c(cc1C=CC(O5)CC(C(O)35)(c(c4)ccc(OC)c4)Oc(c2)c(C3=O)c(cc2OC)O)OC
M END
