Mol:FLIFHXNF0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 34 0 0 0 0 0 0 0 0999 V2000
-1.5334 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5334 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9771 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4208 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4208 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9771 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1355 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6918 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6918 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1355 0.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2479 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2479 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8427 -1.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4375 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4375 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8427 -0.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2479 0.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1355 -1.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8491 0.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0317 -1.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6918 -1.0552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1107 1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7495 1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0108 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0706 1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7502 2.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7113 1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0317 1.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4253 -1.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1398 -2.3527 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
9 17 1 0 0 0 0
7 18 2 0 0 0 0
16 19 1 0 0 0 0
19 17 1 0 0 0 0
14 20 1 0 0 0 0
8 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 1 1 0 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
13 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 33
M SMT 1 OCH3
M SBV 1 33 -5.9273 3.4978
S SKP 8
ID FLIFHXNF0012
KNApSAcK_ID C00009981
NAME Volubinol
CAS_RN 93290-65-4
FORMULA C22H22O8
EXACTMASS 414.13146768
AVERAGEMASS 414.40528000000006
SMILES C(O2)C(O5)C(O)(C(=O)c(c53)ccc(O4)c(CC4C(CO)C)3)c(c21)cc(OC)c(O)c1
M END
