Mol:FL1C3CGS0018
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 35 0 0 0 0 0 0 0 0999 V2000 | + | 33 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9718 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9718 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9718 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9718 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4178 -0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4178 -0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1362 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1362 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1362 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1362 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4178 0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4178 0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6900 -0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6900 -0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2425 -0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2425 -0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7938 -0.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7938 -0.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3440 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3440 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8823 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8823 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4207 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4207 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4207 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4207 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8823 0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8823 0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3440 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3440 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6900 -1.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6900 -1.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4178 -1.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4178 -1.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5255 0.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5255 0.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9589 0.7791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9589 0.7791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9589 -0.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9589 -0.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5718 0.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5718 0.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2256 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2256 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7270 0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7270 0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2073 0.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2073 0.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5955 0.6821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5955 0.6821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1048 0.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1048 0.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9589 0.3669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9589 0.3669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7653 0.1071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7653 0.1071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4413 -0.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4413 -0.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7083 -0.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7083 -0.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9939 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9939 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1518 0.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1518 0.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9487 1.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9487 1.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 2 30 1 0 0 0 0 | + | 2 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 32 -9.5211 4.7337 | + | M SBV 1 32 -9.5211 4.7337 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 34 | + | M SBL 2 1 34 |
| − | M SMT 2 ^CH2OH | + | M SMT 2 ^CH2OH |
| − | M SBV 2 34 -8.8316 5.1143 | + | M SBV 2 34 -8.8316 5.1143 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C3CGS0018 | + | ID FL1C3CGS0018 |
| − | KNApSAcK_ID C00007909 | + | KNApSAcK_ID C00007909 |
| − | NAME Lanceolin | + | NAME Lanceolin |
| − | CAS_RN 64181-95-9 | + | CAS_RN 64181-95-9 |
| − | FORMULA C22H24O11 | + | FORMULA C22H24O11 |
| − | EXACTMASS 464.13186161 | + | EXACTMASS 464.13186161 |
| − | AVERAGEMASS 464.41936000000004 | + | AVERAGEMASS 464.41936000000004 |
| − | SMILES OC(C1O)C(Oc(c(OC)2)ccc(C(=O)C=Cc(c3)cc(c(O)c3)O)c(O)2)OC(CO)C1O | + | SMILES OC(C1O)C(Oc(c(OC)2)ccc(C(=O)C=Cc(c3)cc(c(O)c3)O)c(O)2)OC(CO)C1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 35 0 0 0 0 0 0 0 0999 V2000
-0.9718 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9718 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4178 -0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1362 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1362 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4178 0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6900 -0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2425 -0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7938 -0.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3440 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8823 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4207 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4207 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8823 0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3440 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6900 -1.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4178 -1.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5255 0.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9589 0.7791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9589 -0.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5718 0.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2256 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7270 0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2073 0.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5955 0.6821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1048 0.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9589 0.3669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7653 0.1071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4413 -0.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7083 -0.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9939 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1518 0.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9487 1.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
13 19 1 0 0 0 0
12 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 18 1 0 0 0 0
2 30 1 0 0 0 0
30 31 1 0 0 0 0
26 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 32
M SMT 1 ^OCH3
M SBV 1 32 -9.5211 4.7337
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 34
M SMT 2 ^CH2OH
M SBV 2 34 -8.8316 5.1143
S SKP 8
ID FL1C3CGS0018
KNApSAcK_ID C00007909
NAME Lanceolin
CAS_RN 64181-95-9
FORMULA C22H24O11
EXACTMASS 464.13186161
AVERAGEMASS 464.41936000000004
SMILES OC(C1O)C(Oc(c(OC)2)ccc(C(=O)C=Cc(c3)cc(c(O)c3)O)c(O)2)OC(CO)C1O
M END
