Mol:FLID1CNP0005
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 31 36 0 0 0 0 0 0 0 0999 V2000 | + | 31 36 0 0 0 0 0 0 0 0999 V2000 |
− | -0.8008 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8008 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8008 -0.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8008 -0.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2445 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2445 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3118 -0.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3118 -0.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3118 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3118 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2445 0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2445 0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8681 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8681 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4244 -0.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4244 -0.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4244 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4244 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8681 0.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8681 0.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9805 -0.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9805 -0.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9805 -1.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9805 -1.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5753 -1.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5753 -1.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1701 -1.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1701 -1.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1701 -0.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1701 -0.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5753 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5753 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8740 -1.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8740 -1.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2445 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2445 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8233 -1.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8233 -1.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2270 -1.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2270 -1.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8233 -0.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8233 -0.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8008 1.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8008 1.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3571 1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3571 1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3571 0.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3571 0.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3571 1.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3571 1.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8911 0.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8911 0.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5218 1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5218 1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0910 0.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0910 0.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6590 1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6590 1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2270 0.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2270 0.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6590 1.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6590 1.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2 3 2 0 0 0 0 | + | 2 3 2 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 1 2 0 0 0 0 | + | 6 1 2 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 |
− | 8 11 1 0 0 0 0 | + | 8 11 1 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
− | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
− | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
− | 14 19 1 0 0 0 0 | + | 14 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 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
− | 18 22 2 0 0 0 0 | + | 18 22 2 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 1 1 0 0 0 0 | + | 24 1 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 |
− | 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 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLID1CNP0005 | + | ID FLID1CNP0005 |
− | KNApSAcK_ID C00009671 | + | KNApSAcK_ID C00009671 |
− | NAME Nitiducarpin | + | NAME Nitiducarpin |
− | CAS_RN 66446-93-3 | + | CAS_RN 66446-93-3 |
− | FORMULA C26H26O5 | + | FORMULA C26H26O5 |
− | EXACTMASS 418.178023942 | + | EXACTMASS 418.178023942 |
− | AVERAGEMASS 418.48163999999997 | + | AVERAGEMASS 418.48163999999997 |
− | SMILES C(C(C=6)(Oc(c(C6)1)ccc(C25)c(OCC2c(c3O5)cc(O4)c(OC4)c3)1)C)CC=C(C)C | + | SMILES C(C(C=6)(Oc(c(C6)1)ccc(C25)c(OCC2c(c3O5)cc(O4)c(OC4)c3)1)C)CC=C(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 31 36 0 0 0 0 0 0 0 0999 V2000 -0.8008 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 -0.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2445 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3118 -0.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3118 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2445 0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8681 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4244 -0.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4244 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8681 0.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9805 -0.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9805 -1.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5753 -1.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1701 -1.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1701 -0.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5753 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -1.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2445 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8233 -1.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2270 -1.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8233 -0.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 1.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3571 1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3571 0.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3571 1.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8911 0.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5218 1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0910 0.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2270 0.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 1.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 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 1 2 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 8 11 1 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 16 1 0 0 0 0 16 11 2 0 0 0 0 7 17 1 0 0 0 0 1 2 1 0 0 0 0 12 17 1 0 0 0 0 6 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 15 1 0 0 0 0 18 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 1 1 0 0 0 0 23 25 1 0 0 0 0 23 26 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 26 27 1 0 0 0 0 S SKP 8 ID FLID1CNP0005 KNApSAcK_ID C00009671 NAME Nitiducarpin CAS_RN 66446-93-3 FORMULA C26H26O5 EXACTMASS 418.178023942 AVERAGEMASS 418.48163999999997 SMILES C(C(C=6)(Oc(c(C6)1)ccc(C25)c(OCC2c(c3O5)cc(O4)c(OC4)c3)1)C)CC=C(C)C M END