Mol:FL5FADGL0036
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
39 42 0 0 0 0 0 0 0 0999 V2000
-2.2136 -3.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5931 -4.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1389 -3.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3052 -2.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9257 -2.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3799 -3.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8509 -2.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0172 -1.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6377 -1.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0920 -2.1888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3673 -2.6509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8039 -1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3410 -0.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5104 -0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1427 0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6057 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4362 -0.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3180 -1.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4138 -0.1571 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0262 -0.8285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.7717 -0.6154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5216 -0.8285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9094 -0.1571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.1638 -0.3701 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.3132 -0.3519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4327 0.0956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5236 -0.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4015 1.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5187 -3.7621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5635 -4.4227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1506 -0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4961 -1.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4970 -2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9296 -2.4234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0370 -2.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5764 -2.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1158 -2.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0889 0.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8413 0.7689 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
20 18 1 0 0 0 0
18 8 1 0 0 0 0
22 21 1 1 0 0 0
15 28 1 0 0 0 0
3 29 1 0 0 0 0
1 30 1 0 0 0 0
22 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
16 38 1 0 0 0 0
38 39 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 38 39
M SBL 1 1 41
M SMT 1 OCH3
M SVB 1 41 0.1268 2.4234
S SKP 8
ID FL5FADGL0036
KNApSAcK_ID C00006007
NAME Isorhamnetin 3-[6''-(2-(E)-butenoyl)-glucoside];(E)-5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[[6-O-(1-oxo-2-butenyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
CAS_RN 145204-82-6
FORMULA C26H26O13
EXACTMASS 546.137340918
AVERAGEMASS 546.4768399999999
SMILES C(O)([C@@H]1OC(C3=O)=C(Oc(c4)c(c(O)cc4O)3)c(c2)ccc(c2OC)O)C(O)[C@@H](O)[C@H](O1)COC(=O)C=CC
M END
