Mol:PR100646
From Metabolomics.JP
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
