Mol:FL2FAANF0011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 32 0 0 0 0 0 0 0 0999 V2000 | + | 28 32 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.3517 -0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3517 -0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3659 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3659 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1066 -1.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1066 -1.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7804 -0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7804 -0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7712 0.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7712 0.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0874 0.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0874 0.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4857 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4857 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1066 -1.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1066 -1.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2002 0.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2002 0.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9146 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9146 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9146 1.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9146 1.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2002 1.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2002 1.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4857 1.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4857 1.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3414 0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3414 0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3414 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3414 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3414 -1.7651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3414 -1.7651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5352 1.7753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5352 1.7753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0628 -0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0628 -0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0628 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0628 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7770 0.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7770 0.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4925 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4925 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4925 -0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4925 -0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2069 0.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2069 0.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9213 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9213 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9213 -0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9213 -0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2069 -1.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2069 -1.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4918 0.5165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4918 0.5165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5352 -0.9922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5352 -0.9922 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 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 6 0 0 0 | + | 5 7 1 6 0 0 0 |
| − | 3 8 2 0 0 0 0 | + | 3 8 2 0 0 0 0 |
| − | 7 9 2 0 0 0 0 | + | 7 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 7 1 0 0 0 0 | + | 13 7 1 0 0 0 0 |
| − | 2 14 1 0 0 0 0 | + | 2 14 1 0 0 0 0 |
| − | 14 19 2 0 0 0 0 | + | 14 19 2 0 0 0 0 |
| − | 18 15 2 0 0 0 0 | + | 18 15 2 0 0 0 0 |
| − | 15 1 1 0 0 0 0 | + | 15 1 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 11 17 1 0 0 0 0 | + | 11 17 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 22 1 0 0 0 0 | + | 26 22 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAANF0011 | + | ID FL2FAANF0011 |
| − | KNApSAcK_ID C00014272 | + | KNApSAcK_ID C00014272 |
| − | NAME Anastatin A;(2S)-2,3-Dihydro-5,7,8-trihydroxy-2-(4-hydroxyphenyl)-4H-Benzofuro[3,2-g]-1-benzopyran-4-one | + | NAME Anastatin A;(2S)-2,3-Dihydro-5,7,8-trihydroxy-2-(4-hydroxyphenyl)-4H-Benzofuro[3,2-g]-1-benzopyran-4-one |
| − | CAS_RN 571186-32-8 | + | CAS_RN 571186-32-8 |
| − | FORMULA C21H14O7 | + | FORMULA C21H14O7 |
| − | EXACTMASS 378.073952802 | + | EXACTMASS 378.073952802 |
| − | AVERAGEMASS 378.33165999999994 | + | AVERAGEMASS 378.33165999999994 |
| − | SMILES o(c45)c(c1)c(c4cc(O)c(O)c5)c(c(C(=O)3)c1OC(C3)c(c2)ccc(O)c2)O | + | SMILES o(c45)c(c1)c(c4cc(O)c(O)c5)c(c(C(=O)3)c1OC(C3)c(c2)ccc(O)c2)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 32 0 0 0 0 0 0 0 0999 V2000
0.3517 -0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3659 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1066 -1.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7804 -0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7712 0.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0874 0.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4857 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1066 -1.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2002 0.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9146 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9146 1.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2002 1.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4857 1.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3414 0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3414 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3414 -1.7651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5352 1.7753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0628 -0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0628 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7770 0.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4925 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4925 -0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2069 0.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9213 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9213 -0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2069 -1.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4918 0.5165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5352 -0.9922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 2 1 0 0 0 0
5 7 1 6 0 0 0
3 8 2 0 0 0 0
7 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 7 1 0 0 0 0
2 14 1 0 0 0 0
14 19 2 0 0 0 0
18 15 2 0 0 0 0
15 1 1 0 0 0 0
15 16 1 0 0 0 0
11 17 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
18 22 1 0 0 0 0
21 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 22 1 0 0 0 0
24 27 1 0 0 0 0
25 28 1 0 0 0 0
S SKP 8
ID FL2FAANF0011
KNApSAcK_ID C00014272
NAME Anastatin A;(2S)-2,3-Dihydro-5,7,8-trihydroxy-2-(4-hydroxyphenyl)-4H-Benzofuro[3,2-g]-1-benzopyran-4-one
CAS_RN 571186-32-8
FORMULA C21H14O7
EXACTMASS 378.073952802
AVERAGEMASS 378.33165999999994
SMILES o(c45)c(c1)c(c4cc(O)c(O)c5)c(c(C(=O)3)c1OC(C3)c(c2)ccc(O)c2)O
M END
