Mol:FLID1ANF0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 26 0 0 0 0 0 0 0 0999 V2000 | + | 22 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9672 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9672 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9672 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9672 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4109 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4109 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8546 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8546 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8546 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8546 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4109 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4109 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2983 0.0104 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.2983 0.0104 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.2580 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.2580 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.2580 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2580 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2983 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2983 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8141 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8141 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8141 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8141 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4089 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4089 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0037 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0037 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0037 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0037 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4089 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4089 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2966 -0.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2966 -0.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5781 1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5781 1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9557 0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9557 0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5781 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5781 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8697 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8697 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7358 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7358 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 2.2412 -0.8826 | + | M SVB 1 25 2.2412 -0.8826 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID1ANF0003 | + | ID FLID1ANF0003 |
| − | KNApSAcK_ID C00010003 | + | KNApSAcK_ID C00010003 |
| − | NAME 9-O-Methylneodunol | + | NAME 9-O-Methylneodunol |
| − | CAS_RN 53833-80-0 | + | CAS_RN 53833-80-0 |
| − | FORMULA C18H14O4 | + | FORMULA C18H14O4 |
| − | EXACTMASS 294.089208936 | + | EXACTMASS 294.089208936 |
| − | AVERAGEMASS 294.30136 | + | AVERAGEMASS 294.30136 |
| − | SMILES c(c45)c(c1cc4occ5)C(O3)C(c(c32)ccc(OC)c2)CO1 | + | SMILES c(c45)c(c1cc4occ5)C(O3)C(c(c32)ccc(OC)c2)CO1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 26 0 0 0 0 0 0 0 0999 V2000
-1.9672 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9672 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4109 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8546 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8546 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4109 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2983 0.0104 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.2580 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.2580 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2983 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8141 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8141 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4089 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0037 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0037 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4089 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2966 -0.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5781 1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9557 0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5781 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8697 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7358 -1.6763 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
7 17 1 0 0 0 0
12 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 2 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 2.2412 -0.8826
S SKP 8
ID FLID1ANF0003
KNApSAcK_ID C00010003
NAME 9-O-Methylneodunol
CAS_RN 53833-80-0
FORMULA C18H14O4
EXACTMASS 294.089208936
AVERAGEMASS 294.30136
SMILES c(c45)c(c1cc4occ5)C(O3)C(c(c32)ccc(OC)c2)CO1
M END
