Mol:FL7AAGGA0010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
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| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
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| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 15 33 1 0 0 0 0 | + | 15 33 1 0 0 0 0 |
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| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
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| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 41 2 0 0 0 0 | + | 40 41 2 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 42 43 2 0 0 0 0 | + | 42 43 2 0 0 0 0 |
| − | 43 38 1 0 0 0 0 | + | 43 38 1 0 0 0 0 |
| − | 41 44 1 0 0 0 0 | + | 41 44 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAGGA0010 | + | ID FL7AAGGA0010 |
| − | KNApSAcK_ID C00011107 | + | KNApSAcK_ID C00011107 |
| − | NAME Delphinidin 3-O-beta-D-(6-O-(E)-p-coumaryl)galactopyranoside | + | NAME Delphinidin 3-O-beta-D-(6-O-(E)-p-coumaryl)galactopyranoside |
| − | CAS_RN 339080-03-4 | + | CAS_RN 339080-03-4 |
| − | FORMULA C30H27O14 | + | FORMULA C30H27O14 |
| − | EXACTMASS 611.140080572 | + | EXACTMASS 611.140080572 |
| − | AVERAGEMASS 611.5269800000001 | + | AVERAGEMASS 611.5269800000001 |
| − | SMILES c(c1)(c(c(cc1c([o+1]5)c(cc(c45)c(cc(c4)O)O)OC(C(O)3)OC(C(C3O)O)COC(C=Cc(c2)ccc(O)c2)=O)O)O)O | + | SMILES c(c1)(c(c(cc1c([o+1]5)c(cc(c45)c(cc(c4)O)O)OC(C(O)3)OC(C(C3O)O)COC(C=Cc(c2)ccc(O)c2)=O)O)O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-1.9823 -0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3813 0.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3813 0.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9823 1.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5833 0.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5833 0.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7803 -0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1793 0.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1793 0.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7803 1.1781 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.4565 1.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0250 0.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5935 1.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5935 1.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0250 2.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4565 1.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1076 2.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1443 1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9823 -0.8369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1469 -0.4886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1116 0.8990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1588 -0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6222 -1.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4436 -0.9513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1897 -1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7264 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9050 -0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7143 -0.5211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3289 -0.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0321 -0.3713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7327 -1.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1443 -1.5696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0250 2.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5724 -2.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0755 -2.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9129 -2.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3910 -1.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5569 -1.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2292 -1.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.4261 -2.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2292 -2.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2720 -1.6196 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 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 3 1 0 0 0 0
9 11 1 0 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
14 17 1 0 0 0 0
5 18 1 0 0 0 0
1 19 1 0 0 0 0
8 20 1 0 0 0 0
13 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
20 23 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
25 31 1 0 0 0 0
31 32 1 0 0 0 0
15 33 1 0 0 0 0
32 34 1 0 0 0 0
34 35 2 0 0 0 0
34 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
41 42 1 0 0 0 0
42 43 2 0 0 0 0
43 38 1 0 0 0 0
41 44 1 0 0 0 0
S SKP 8
ID FL7AAGGA0010
KNApSAcK_ID C00011107
NAME Delphinidin 3-O-beta-D-(6-O-(E)-p-coumaryl)galactopyranoside
CAS_RN 339080-03-4
FORMULA C30H27O14
EXACTMASS 611.140080572
AVERAGEMASS 611.5269800000001
SMILES c(c1)(c(c(cc1c([o+1]5)c(cc(c45)c(cc(c4)O)O)OC(C(O)3)OC(C(C3O)O)COC(C=Cc(c2)ccc(O)c2)=O)O)O)O
M END
