Mol:FL5FADGS0019
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-0.5081 1.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2187 1.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5820 2.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2187 2.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5081 2.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8715 2.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4232 2.1616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7456 2.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1379 1.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9508 1.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3162 2.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2829 0.9068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2829 0.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9071 -0.4313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.5120 -1.1155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7477 -0.9153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9880 -1.1325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3830 -0.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1474 -0.6483 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.3156 -0.1953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7712 -1.5645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6035 -1.4535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -0.9767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2111 -2.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4482 -1.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4482 -1.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2111 -0.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8704 -1.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8704 -1.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2826 -2.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1394 -2.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8306 -1.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8306 -1.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1394 -0.7345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1394 -2.7910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4607 -2.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4929 -0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1568 -1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8208 -0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8208 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1568 0.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4929 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8208 0.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3908 0.9465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7837 1.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
3 7 1 0 0 0 0
6 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
12 13 1 0 0 0 0
14 15 1 1 0 0 0
15 16 1 1 0 0 0
17 16 1 1 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 14 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
16 22 1 0 0 0 0
17 23 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 24 2 0 0 0 0
23 28 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
34 26 1 0 0 0 0
31 35 2 0 0 0 0
32 36 1 0 0 0 0
33 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
42 37 1 0 0 0 0
40 43 1 0 0 0 0
41 44 1 0 0 0 0
44 45 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 44 45
M SBL 1 1 48
M SMT 1 OCH3
M SVB 1 48 3.3908 0.9465
S SKP 8
ID FL5FADGS0019
KNApSAcK_ID C00006011
NAME Isorhamnetin 7-(6''-p-coumarylglucoside);Buddlenoid B;3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
CAS_RN 142768-55-6
FORMULA C31H28O14
EXACTMASS 624.147905604
AVERAGEMASS 624.5456200000001
SMILES C(OC(C=Cc(c5)ccc(O)c5)=O)C([C@H](O)4)O[C@H]([C@@H](O)[C@H]4O)Oc(c3)cc(c(c13)C(=O)C(O)=C(c(c2)ccc(O)c(OC)2)O1)O
M END
