Mol:PR100646
From Metabolomics.JP
(Difference between revisions)
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| − | + | ||
| − | ISISHOST09010423022D 1 1.00000 0.00000 378 | + | ISISHOST09010423022D 1 1.00000 0.00000 378 |
| − | + | ||
| − | 22 24 0 0 0 999 V2000 | + | 22 24 0 0 0 999 V2000 |
| − | 3.9824 -12.7103 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 3.9824 -12.7103 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 3.9859 -11.8828 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 3.9859 -11.8828 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 4.6997 -13.1276 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 4.6997 -13.1276 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 3.2686 -13.1241 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 3.2686 -13.1241 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 4.7066 -11.4690 0.0000 O 0 0 0 0 0 0 0 0 0 | + | 4.7066 -11.4690 0.0000 O 0 0 0 0 0 0 0 0 0 |
| − | 3.2686 -11.4655 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 3.2686 -11.4655 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 5.4135 -12.7172 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 5.4135 -12.7172 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 4.6962 -13.9552 0.0000 O 0 0 0 0 0 0 0 0 0 | + | 4.6962 -13.9552 0.0000 O 0 0 0 0 0 0 0 0 0 |
| − | 2.5480 -12.7103 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 2.5480 -12.7103 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 3.2721 -13.9517 0.0000 O 0 0 0 0 0 0 0 0 0 | + | 3.2721 -13.9517 0.0000 O 0 0 0 0 0 0 0 0 0 |
| − | 5.4169 -11.8862 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 5.4169 -11.8862 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 2.5480 -11.8828 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 2.5480 -11.8828 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 6.1273 -13.1310 0.0000 O 0 0 0 0 0 0 0 0 0 | + | 6.1273 -13.1310 0.0000 O 0 0 0 0 0 0 0 0 0 |
| − | 6.1376 -11.4724 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 6.1376 -11.4724 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 1.8307 -11.4655 0.0000 O 0 0 0 0 0 0 0 0 0 | + | 1.8307 -11.4655 0.0000 O 0 0 0 0 0 0 0 0 0 |
| − | 6.8514 -11.8966 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 6.8514 -11.8966 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 6.1411 -10.6483 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 6.1411 -10.6483 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 7.5721 -11.4828 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 7.5721 -11.4828 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 6.8618 -10.2379 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 6.8618 -10.2379 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 7.5755 -10.6517 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 7.5755 -10.6517 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 8.2859 -11.8966 0.0000 O 0 0 0 0 0 0 0 0 0 | + | 8.2859 -11.8966 0.0000 O 0 0 0 0 0 0 0 0 0 |
| − | 8.2962 -10.2448 0.0000 O 0 0 0 0 0 0 0 0 0 | + | 8.2962 -10.2448 0.0000 O 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 | + | 1 2 1 0 0 0 |
| − | 1 3 1 0 0 0 | + | 1 3 1 0 0 0 |
| − | 1 4 2 0 0 0 | + | 1 4 2 0 0 0 |
| − | 2 5 1 0 0 0 | + | 2 5 1 0 0 0 |
| − | 2 6 2 0 0 0 | + | 2 6 2 0 0 0 |
| − | 3 7 1 0 0 0 | + | 3 7 1 0 0 0 |
| − | 3 8 2 0 0 0 | + | 3 8 2 0 0 0 |
| − | 4 9 1 0 0 0 | + | 4 9 1 0 0 0 |
| − | 4 10 1 0 0 0 | + | 4 10 1 0 0 0 |
| − | 5 11 1 0 0 0 | + | 5 11 1 0 0 0 |
| − | 6 12 1 0 0 0 | + | 6 12 1 0 0 0 |
| − | 7 13 1 0 0 0 | + | 7 13 1 0 0 0 |
| − | 11 14 1 0 0 0 | + | 11 14 1 0 0 0 |
| − | 12 15 1 0 0 0 | + | 12 15 1 0 0 0 |
| − | 14 16 2 0 0 0 | + | 14 16 2 0 0 0 |
| − | 14 17 1 0 0 0 | + | 14 17 1 0 0 0 |
| − | 16 18 1 0 0 0 | + | 16 18 1 0 0 0 |
| − | 17 19 2 0 0 0 | + | 17 19 2 0 0 0 |
| − | 18 20 2 0 0 0 | + | 18 20 2 0 0 0 |
| − | 18 21 1 0 0 0 | + | 18 21 1 0 0 0 |
| − | 20 22 1 0 0 0 | + | 20 22 1 0 0 0 |
| − | 7 11 2 0 0 0 | + | 7 11 2 0 0 0 |
| − | 9 12 2 0 0 0 | + | 9 12 2 0 0 0 |
| − | 19 20 1 0 0 0 | + | 19 20 1 0 0 0 |
| − | S SKP | + | S SKP 7 |
| − | CAS_RN 117-39-5 | + | CAS_RN 117-39-5 |
| − | NAME Quercetin | + | NAME Quercetin |
| + | ID PR100646 | ||
| + | FORMULA C15H10O7 | ||
| + | EXACTMASS 302.042652674 | ||
| + | AVERAGEMASS 302.2357 | ||
| + | SMILES Oc(c3)c(O)cc(c3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c2)1 | ||
M END | M END | ||
Latest revision as of 10:28, 23 December 2009
ISISHOST09010423022D 1 1.00000 0.00000 378
22 24 0 0 0 999 V2000
3.9824 -12.7103 0.0000 C 0 0 0 0 0 0 0 0 0
3.9859 -11.8828 0.0000 C 0 0 0 0 0 0 0 0 0
4.6997 -13.1276 0.0000 C 0 0 0 0 0 0 0 0 0
3.2686 -13.1241 0.0000 C 0 0 0 0 0 0 0 0 0
4.7066 -11.4690 0.0000 O 0 0 0 0 0 0 0 0 0
3.2686 -11.4655 0.0000 C 0 0 0 0 0 0 0 0 0
5.4135 -12.7172 0.0000 C 0 0 0 0 0 0 0 0 0
4.6962 -13.9552 0.0000 O 0 0 0 0 0 0 0 0 0
2.5480 -12.7103 0.0000 C 0 0 0 0 0 0 0 0 0
3.2721 -13.9517 0.0000 O 0 0 0 0 0 0 0 0 0
5.4169 -11.8862 0.0000 C 0 0 0 0 0 0 0 0 0
2.5480 -11.8828 0.0000 C 0 0 0 0 0 0 0 0 0
6.1273 -13.1310 0.0000 O 0 0 0 0 0 0 0 0 0
6.1376 -11.4724 0.0000 C 0 0 0 0 0 0 0 0 0
1.8307 -11.4655 0.0000 O 0 0 0 0 0 0 0 0 0
6.8514 -11.8966 0.0000 C 0 0 0 0 0 0 0 0 0
6.1411 -10.6483 0.0000 C 0 0 0 0 0 0 0 0 0
7.5721 -11.4828 0.0000 C 0 0 0 0 0 0 0 0 0
6.8618 -10.2379 0.0000 C 0 0 0 0 0 0 0 0 0
7.5755 -10.6517 0.0000 C 0 0 0 0 0 0 0 0 0
8.2859 -11.8966 0.0000 O 0 0 0 0 0 0 0 0 0
8.2962 -10.2448 0.0000 O 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0
1 3 1 0 0 0
1 4 2 0 0 0
2 5 1 0 0 0
2 6 2 0 0 0
3 7 1 0 0 0
3 8 2 0 0 0
4 9 1 0 0 0
4 10 1 0 0 0
5 11 1 0 0 0
6 12 1 0 0 0
7 13 1 0 0 0
11 14 1 0 0 0
12 15 1 0 0 0
14 16 2 0 0 0
14 17 1 0 0 0
16 18 1 0 0 0
17 19 2 0 0 0
18 20 2 0 0 0
18 21 1 0 0 0
20 22 1 0 0 0
7 11 2 0 0 0
9 12 2 0 0 0
19 20 1 0 0 0
S SKP 7
CAS_RN 117-39-5
NAME Quercetin
ID PR100646
FORMULA C15H10O7
EXACTMASS 302.042652674
AVERAGEMASS 302.2357
SMILES Oc(c3)c(O)cc(c3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c2)1
M END
