Mol:FL6DAANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.0742 -0.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0707 0.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3580 -1.0295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7869 -1.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3511 0.6266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7869 0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3615 -0.6197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.3615 -1.8523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5030 -0.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7834 -1.8489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3650 0.2066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5030 0.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0708 -1.0363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0811 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2192 0.6232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0811 1.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7938 0.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7938 1.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5064 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5064 1.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2192 1.8489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 1 0
1 4 2 0
2 5 1 0
2 6 2 0
3 7 1 0
3 8 1 1
4 9 1 0
4 10 1 0
5 11 1 0
6 12 1 0
7 13 1 1
11 14 1 6
12 15 1 0
14 16 2 0
14 17 1 0
16 18 1 0
17 19 2 0
18 20 2 0
20 21 1 0
7 11 1 0
9 12 2 0
19 20 1 0
S SKP 8
ID FL6DAANS0001
KNApSAcK_ID C00020638
NAME Leucopelargonidin
CAS_RN 520-17-2
FORMULA C15H14O6
EXACTMASS 290.07903818
AVERAGEMASS 290.26806
SMILES Oc(c3)ccc(c3)C(O1)C(O)C(O)c(c(O)2)c(cc(O)c2)1
M END
