Mol:FL2FACNP0004
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 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
− | -2.4814 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4814 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9605 -1.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9605 -1.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4396 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4396 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4396 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4396 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9605 -0.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9605 -0.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4814 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4814 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9188 -1.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9188 -1.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3979 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3979 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3979 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3979 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9188 -0.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9188 -0.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1225 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1225 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9188 -2.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9188 -2.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6569 -0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6569 -0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1912 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1912 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1912 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1912 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6569 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6569 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1225 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1225 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0023 -0.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0023 -0.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9605 -2.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9605 -2.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7256 -0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7256 -0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2599 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2599 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2599 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2599 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7256 0.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7256 0.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4110 0.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4110 0.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4110 1.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4110 1.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9421 1.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9421 1.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4720 1.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4720 1.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9421 2.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9421 2.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8529 0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8529 0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0023 0.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0023 0.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6569 1.2142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6569 1.2142 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 |
− | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
− | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
− | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
− | 11 13 2 0 0 0 0 | + | 11 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
− | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
− | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
− | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
− | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 15 1 0 0 0 0 | + | 23 15 1 0 0 0 0 |
− | 17 24 1 0 0 0 0 | + | 17 24 1 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 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
− | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
− | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
− | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL2FACNP0004 | + | ID FL2FACNP0004 |
− | KNApSAcK_ID C00008465 | + | KNApSAcK_ID C00008465 |
− | NAME Sigmoidin F | + | NAME Sigmoidin F |
− | CAS_RN 126005-97-8 | + | CAS_RN 126005-97-8 |
− | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
− | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
− | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
− | SMILES c(c41)(OC(C=C4)(C)C)c(c(CC=C(C)C)c(C(C2)Oc(c3)c(c(cc3O)O)C2=O)c1)O | + | SMILES c(c41)(OC(C=C4)(C)C)c(c(CC=C(C)C)c(C(C2)Oc(c3)c(c(cc3O)O)C2=O)c1)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/ 31 34 0 0 0 0 0 0 0 0999 V2000 -2.4814 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9605 -1.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4396 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4396 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9605 -0.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4814 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9188 -1.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3979 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3979 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9188 -0.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1225 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9188 -2.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6569 -0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1912 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1912 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6569 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1225 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0023 -0.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9605 -2.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7256 -0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2599 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2599 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7256 0.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 0.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 1.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9421 1.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 1.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9421 2.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8529 0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0023 0.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6569 1.2142 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 3 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 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 17 2 0 0 0 0 17 11 1 0 0 0 0 6 18 1 0 0 0 0 2 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 15 1 0 0 0 0 17 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 22 29 1 0 0 0 0 22 30 1 0 0 0 0 16 31 1 0 0 0 0 S SKP 8 ID FL2FACNP0004 KNApSAcK_ID C00008465 NAME Sigmoidin F CAS_RN 126005-97-8 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES c(c41)(OC(C=C4)(C)C)c(c(CC=C(C)C)c(C(C2)Oc(c3)c(c(cc3O)O)C2=O)c1)O M END