Mol:FL2FCCNF0001
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 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0390 0.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0390 0.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0204 -0.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0204 -0.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2433 -0.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2433 -0.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5884 -0.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5884 -0.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5743 0.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5743 0.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2999 0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2999 0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1665 -0.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1665 -0.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8403 -0.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8403 -0.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8311 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8311 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1472 0.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1472 0.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5456 0.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5456 0.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2366 0.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2366 0.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9480 0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9480 0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9685 1.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9685 1.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2567 2.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2567 2.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5363 1.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5363 1.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1665 -1.6770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1665 -1.6770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3194 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3194 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0339 1.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0339 1.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0339 2.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0339 2.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3194 3.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3194 3.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7484 3.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7484 3.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8222 0.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8222 0.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5893 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5893 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6269 -1.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6269 -1.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2246 -1.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2246 -1.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3695 -1.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3695 -1.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5417 1.9123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5417 1.9123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5893 0.3863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5893 0.3863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5482 -2.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5482 -2.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2522 -2.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2522 -2.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1757 -3.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1757 -3.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9382 -3.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9382 -3.1502 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 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 |
| − | 9 11 1 0 0 0 0 | + | 9 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 2 0 0 0 0 | + | 7 17 2 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 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 2 25 1 0 0 0 0 | + | 2 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 3 1 0 0 0 0 | + | 27 3 1 0 0 0 0 |
| − | 18 6 1 0 0 0 0 | + | 18 6 1 0 0 0 0 |
| − | 14 28 1 0 0 0 0 | + | 14 28 1 0 0 0 0 |
| − | 13 29 1 0 0 0 0 | + | 13 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 30 33 1 0 0 0 0 | + | 30 33 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FCCNF0001 | + | ID FL2FCCNF0001 |
| − | KNApSAcK_ID C00014214 | + | KNApSAcK_ID C00014214 |
| − | NAME 3',4'-Dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2'''-(1-hydroxy-1-methylethyl)-furano-(4'',5'':6,5)favanone | + | NAME 3',4'-Dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2'''-(1-hydroxy-1-methylethyl)-furano-(4'',5'':6,5)favanone |
| − | CAS_RN 325149-81-3 | + | CAS_RN 325149-81-3 |
| − | FORMULA C26H28O7 | + | FORMULA C26H28O7 |
| − | EXACTMASS 452.18350325 | + | EXACTMASS 452.18350325 |
| − | AVERAGEMASS 452.49631999999997 | + | AVERAGEMASS 452.49631999999997 |
| − | SMILES O=C(c23)CC(Oc(c(CC=C(C)C)c(OC)c(c4)c3oc(C(C)(C)O)4)2)c(c1)ccc(O)c1O | + | SMILES O=C(c23)CC(Oc(c(CC=C(C)C)c(OC)c(c4)c3oc(C(C)(C)O)4)2)c(c1)ccc(O)c1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-2.0390 0.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0204 -0.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2433 -0.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5884 -0.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5743 0.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2999 0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1665 -0.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8403 -0.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8311 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1472 0.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5456 0.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2366 0.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9480 0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9685 1.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2567 2.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5363 1.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1665 -1.6770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3194 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0339 1.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0339 2.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3194 3.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7484 3.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8222 0.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5893 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6269 -1.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2246 -1.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3695 -1.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5417 1.9123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5893 0.3863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5482 -2.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2522 -2.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1757 -3.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9382 -3.1502 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 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 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
1 23 1 0 0 0 0
23 24 1 0 0 0 0
2 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 3 1 0 0 0 0
18 6 1 0 0 0 0
14 28 1 0 0 0 0
13 29 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
30 33 1 0 0 0 0
S SKP 8
ID FL2FCCNF0001
KNApSAcK_ID C00014214
NAME 3',4'-Dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2'''-(1-hydroxy-1-methylethyl)-furano-(4'',5'':6,5)favanone
CAS_RN 325149-81-3
FORMULA C26H28O7
EXACTMASS 452.18350325
AVERAGEMASS 452.49631999999997
SMILES O=C(c23)CC(Oc(c(CC=C(C)C)c(OC)c(c4)c3oc(C(C)(C)O)4)2)c(c1)ccc(O)c1O
M END
