Mol:FLID1ANP0003
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 25 29 0 0 0 0 0 0 0 0999 V2000 | + | 25 29 0 0 0 0 0 0 0 0999 V2000 |
− | -1.8805 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8805 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8805 -0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8805 -0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3242 -0.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3242 -0.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7679 -0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7679 -0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7679 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7679 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3242 0.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3242 0.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2116 -0.6770 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.2116 -0.6770 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 0.3447 -0.3559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.3447 -0.3559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 0.3447 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3447 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2116 0.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2116 0.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9008 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9008 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9008 -1.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9008 -1.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4956 -1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4956 -1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0904 -1.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0904 -1.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0904 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0904 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4956 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4956 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2058 -1.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2058 -1.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4368 0.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4368 0.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3242 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3242 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8805 1.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8805 1.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4368 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4368 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4368 1.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4368 1.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0424 1.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0424 1.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9564 -1.8637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9564 -1.8637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8225 -2.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8225 -2.3637 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 |
− | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
− | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
− | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
− | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 18 1 0 0 0 0 | + | 21 18 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
− | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
− | M SBL 1 1 28 | + | M SBL 1 1 28 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 28 2.3279 -1.57 | + | M SVB 1 28 2.3279 -1.57 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLID1ANP0003 | + | ID FLID1ANP0003 |
− | KNApSAcK_ID C00009643 | + | KNApSAcK_ID C00009643 |
− | NAME Hemileiocarpin | + | NAME Hemileiocarpin |
− | CAS_RN 66446-92-2 | + | CAS_RN 66446-92-2 |
− | FORMULA C21H20O4 | + | FORMULA C21H20O4 |
− | EXACTMASS 336.136159128 | + | EXACTMASS 336.136159128 |
− | AVERAGEMASS 336.38109999999995 | + | AVERAGEMASS 336.38109999999995 |
− | SMILES C(C52)(COc(c54)c(c(cc4)3)C=CC(C)(C)O3)c(c1)c(O2)cc(OC)c1 | + | SMILES C(C52)(COc(c54)c(c(cc4)3)C=CC(C)(C)O3)c(c1)c(O2)cc(OC)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 25 29 0 0 0 0 0 0 0 0999 V2000 -1.8805 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8805 -0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3242 -0.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7679 -0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7679 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3242 0.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2116 -0.6770 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3447 -0.3559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3447 0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2116 0.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9008 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9008 -1.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 -1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0904 -1.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0904 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2058 -1.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4368 0.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3242 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8805 1.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4368 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4368 1.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0424 1.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9564 -1.8637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8225 -2.3637 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 18 1 1 0 0 0 0 12 17 1 0 0 0 0 6 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 18 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 14 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 28 M SMT 1 OCH3 M SVB 1 28 2.3279 -1.57 S SKP 8 ID FLID1ANP0003 KNApSAcK_ID C00009643 NAME Hemileiocarpin CAS_RN 66446-92-2 FORMULA C21H20O4 EXACTMASS 336.136159128 AVERAGEMASS 336.38109999999995 SMILES C(C52)(COc(c54)c(c(cc4)3)C=CC(C)(C)O3)c(c1)c(O2)cc(OC)c1 M END