Mol:FL3FRNNR0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.0115 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0115 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0162 -0.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0162 -0.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7213 -1.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7213 -1.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4404 -0.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4404 -0.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4451 -0.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4451 -0.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7330 0.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7330 0.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8740 -0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8740 -0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1619 0.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1619 0.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6936 0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6936 0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4127 -0.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4127 -0.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4174 -0.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4174 -0.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7076 -1.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7076 -1.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5831 0.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5831 0.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5803 1.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5803 1.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8679 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8679 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1589 1.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1589 1.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7076 -2.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7076 -2.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7213 -2.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7213 -2.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2947 1.6081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2947 1.6081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8219 -1.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8219 -1.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5481 -1.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5481 -1.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8779 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8779 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9606 -2.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9606 -2.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2464 -2.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2464 -2.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6754 -1.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6754 -1.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3731 -2.8445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3731 -2.8445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6936 1.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6936 1.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4063 1.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4063 1.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4063 2.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4063 2.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1203 2.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1203 2.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6914 2.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6914 2.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1513 -1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1513 -1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8658 -0.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8658 -0.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5803 -1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5803 -1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2947 -0.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2947 -0.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5803 -2.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5803 -2.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0831 0.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0831 0.3478 0.0000 O 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 |
| − | 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 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 5 1 0 0 0 0 | + | 8 5 1 0 0 0 0 |
| − | 2 9 2 0 0 0 0 | + | 2 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 1 2 0 0 0 0 | + | 12 1 2 0 0 0 0 |
| − | 7 13 2 0 0 0 0 | + | 7 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 8 2 0 0 0 0 | + | 16 8 2 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 3 18 2 0 0 0 0 | + | 3 18 2 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 4 20 1 0 0 0 0 | + | 4 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 7 1 0 0 0 0 | + | 22 7 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 9 27 1 0 0 0 0 | + | 9 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 11 32 1 0 0 0 0 | + | 11 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 10 37 1 0 0 0 0 | + | 10 37 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FRNNR0005 | + | ID FL3FRNNR0005 |
| − | KNApSAcK_ID C00013501 | + | KNApSAcK_ID C00013501 |
| − | NAME Artelastocarpin;6,7-Dihydro-3,9,11-trihydroxy-6-(1-hydroxy-1-methylethyl)-10,12-bis(3-methyl-2-butenyl)-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one | + | NAME Artelastocarpin;6,7-Dihydro-3,9,11-trihydroxy-6-(1-hydroxy-1-methylethyl)-10,12-bis(3-methyl-2-butenyl)-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one |
| − | CAS_RN 404956-32-7 | + | CAS_RN 404956-32-7 |
| − | FORMULA C30H34O7 | + | FORMULA C30H34O7 |
| − | EXACTMASS 506.230453442 | + | EXACTMASS 506.230453442 |
| − | AVERAGEMASS 506.58676 | + | AVERAGEMASS 506.58676 |
| − | SMILES c(c4)c(cc(c41)OC(C(C)(C)O)CC(C3=O)=C1Oc(c23)c(CC=C(C)C)c(O)c(c(O)2)CC=C(C)C)O | + | SMILES c(c4)c(cc(c41)OC(C(C)(C)O)CC(C3=O)=C1Oc(c23)c(CC=C(C)C)c(O)c(c(O)2)CC=C(C)C)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/
37 40 0 0 0 0 0 0 0 0999 V2000
0.0115 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0162 -0.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7213 -1.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4404 -0.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4451 -0.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7330 0.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8740 -0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1619 0.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6936 0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4127 -0.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4174 -0.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7076 -1.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5831 0.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5803 1.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8679 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1589 1.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7076 -2.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7213 -2.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2947 1.6081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8219 -1.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5481 -1.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8779 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9606 -2.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2464 -2.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6754 -1.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3731 -2.8445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6936 1.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4063 1.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4063 2.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1203 2.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6914 2.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1513 -1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8658 -0.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5803 -1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2947 -0.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5803 -2.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0831 0.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 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 2 1 0 0 0 0
7 8 1 0 0 0 0
8 5 1 0 0 0 0
2 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 1 2 0 0 0 0
7 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 8 2 0 0 0 0
12 17 1 0 0 0 0
3 18 2 0 0 0 0
14 19 1 0 0 0 0
4 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 7 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
9 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
11 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
10 37 1 0 0 0 0
S SKP 8
ID FL3FRNNR0005
KNApSAcK_ID C00013501
NAME Artelastocarpin;6,7-Dihydro-3,9,11-trihydroxy-6-(1-hydroxy-1-methylethyl)-10,12-bis(3-methyl-2-butenyl)-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one
CAS_RN 404956-32-7
FORMULA C30H34O7
EXACTMASS 506.230453442
AVERAGEMASS 506.58676
SMILES c(c4)c(cc(c41)OC(C(C)(C)O)CC(C3=O)=C1Oc(c23)c(CC=C(C)C)c(O)c(c(O)2)CC=C(C)C)O
M END
