Mol:FLIAAANP0015
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 |
− | -1.4425 -0.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4425 -0.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4425 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4425 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8862 -1.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8862 -1.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3299 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3299 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3299 -0.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3299 -0.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8862 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8862 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2264 -1.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2264 -1.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7827 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7827 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7827 -0.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7827 -0.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2264 0.0495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2264 0.0495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3388 -1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3388 -1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3388 -1.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3388 -1.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9336 -2.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9336 -2.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5284 -1.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5284 -1.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5284 -1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5284 -1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9336 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9336 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2264 -1.8773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2264 -1.8773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9986 -1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9986 -1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9986 0.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9986 0.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8862 -1.8773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8862 -1.8773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5547 -0.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5547 -0.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5547 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5547 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5547 0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5547 0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1226 -0.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1226 -0.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1226 -2.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1226 -2.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8862 0.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8862 0.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4501 1.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4501 1.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4501 1.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4501 1.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8869 1.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8869 1.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0134 1.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0134 1.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4501 2.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4501 2.2653 0.0000 O 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 2 0 0 0 0 | + | 8 9 2 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 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
− | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
− | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
− | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
− | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 18 2 0 0 0 0 | + | 22 18 2 0 0 0 0 |
− | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
− | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
− | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
− | 6 26 1 0 0 0 0 | + | 6 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
− | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIAAANP0015 | + | ID FLIAAANP0015 |
− | KNApSAcK_ID C00009944 | + | KNApSAcK_ID C00009944 |
− | NAME Euchrenone b6 | + | NAME Euchrenone b6 |
− | CAS_RN 130170-02-4 | + | CAS_RN 130170-02-4 |
− | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
− | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
− | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
− | SMILES c(c3CCC(C)(C)O)(c(c(O)c(C=4)c(OC(C4)(C)C)3)1)OC=C(c(c2)ccc(c2)O)C1=O | + | SMILES c(c3CCC(C)(C)O)(c(c(O)c(C=4)c(OC(C4)(C)C)3)1)OC=C(c(c2)ccc(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 -1.4425 -0.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4425 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8862 -1.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3299 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3299 -0.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8862 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2264 -1.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7827 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7827 -0.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2264 0.0495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3388 -1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3388 -1.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 -2.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5284 -1.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5284 -1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2264 -1.8773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9986 -1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9986 0.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8862 -1.8773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5547 -0.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5547 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5547 0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1226 -0.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1226 -2.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8862 0.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4501 1.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4501 1.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8869 1.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0134 1.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4501 2.2653 0.0000 O 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 2 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 1 2 1 0 0 0 0 7 17 2 0 0 0 0 2 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 18 2 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 14 25 1 0 0 0 0 6 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 S SKP 8 ID FLIAAANP0015 KNApSAcK_ID C00009944 NAME Euchrenone b6 CAS_RN 130170-02-4 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES c(c3CCC(C)(C)O)(c(c(O)c(C=4)c(OC(C4)(C)C)3)1)OC=C(c(c2)ccc(c2)O)C1=O M END