Mol:FL6F1ANS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 18 20 0 0 0 0 0 0 0 0999 V2000 | + | 18 20 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0631 -1.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0631 -1.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0631 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0631 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7776 0.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7776 0.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4920 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4920 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4920 -1.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4920 -1.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7776 -1.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7776 -1.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3486 -1.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3486 -1.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3658 -1.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3658 -1.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3658 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3658 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3486 0.1957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3486 0.1957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2431 0.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2431 0.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9155 -0.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9155 -0.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5879 0.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5879 0.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5879 1.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5879 1.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9155 1.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9155 1.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2431 1.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2431 1.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1385 1.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1385 1.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1385 0.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1385 0.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 1 2 0 0 0 0 | + | 2 1 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 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
| − | 9 11 1 1 0 0 0 | + | 9 11 1 1 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6F1ANS0004 | + | ID FL6F1ANS0004 |
| − | KNApSAcK_ID C00013245 | + | KNApSAcK_ID C00013245 |
| − | NAME Tupichinol C;(R)-3,4-Dihydro-2-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol | + | NAME Tupichinol C;(R)-3,4-Dihydro-2-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol |
| − | CAS_RN 118204-66-3 | + | CAS_RN 118204-66-3 |
| − | FORMULA C15H14O3 | + | FORMULA C15H14O3 |
| − | EXACTMASS 242.094294314 | + | EXACTMASS 242.094294314 |
| − | AVERAGEMASS 242.26986000000002 | + | AVERAGEMASS 242.26986000000002 |
| − | SMILES Oc(c3)ccc(c3)C(C1)Oc(c2)c(ccc(O)2)C1 | + | SMILES Oc(c3)ccc(c3)C(C1)Oc(c2)c(ccc(O)2)C1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
18 20 0 0 0 0 0 0 0 0999 V2000
-1.0631 -1.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0631 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7776 0.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4920 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4920 -1.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7776 -1.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3486 -1.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3658 -1.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3658 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3486 0.1957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2431 0.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9155 -0.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5879 0.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5879 1.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9155 1.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2431 1.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1385 1.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1385 0.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 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
1 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 2 1 0 0 0 0
9 11 1 1 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
14 17 1 0 0 0 0
4 18 1 0 0 0 0
S SKP 8
ID FL6F1ANS0004
KNApSAcK_ID C00013245
NAME Tupichinol C;(R)-3,4-Dihydro-2-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol
CAS_RN 118204-66-3
FORMULA C15H14O3
EXACTMASS 242.094294314
AVERAGEMASS 242.26986000000002
SMILES Oc(c3)ccc(c3)C(C1)Oc(c2)c(ccc(O)2)C1
M END
