Mol:FLID1ANP0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 24 28 0 0 0 0 0 0 0 0999 V2000 | + | 24 28 0 0 0 0 0 0 0 0999 V2000 |
− | -1.5019 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5019 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5019 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5019 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9456 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9456 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3893 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3893 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3893 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3893 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9456 1.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9456 1.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1670 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1670 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7233 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7233 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7233 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7233 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1670 1.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1670 1.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2794 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2794 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2794 -0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2794 -0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8742 -1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8742 -1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4690 -0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4690 -0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4690 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4690 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8742 0.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8742 0.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1729 -0.8449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1729 -0.8449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0632 -1.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0632 -1.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0582 1.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0582 1.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6145 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6145 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6145 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6145 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0582 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0582 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9978 1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9978 1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0632 0.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0632 0.6849 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 |
− | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
− | 1 19 1 0 0 0 0 | + | 1 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 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
− | 22 2 1 0 0 0 0 | + | 22 2 1 0 0 0 0 |
− | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
− | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLID1ANP0002 | + | ID FLID1ANP0002 |
− | KNApSAcK_ID C00009639 | + | KNApSAcK_ID C00009639 |
− | NAME Neorautenol | + | NAME Neorautenol |
− | CAS_RN 53766-52-2 | + | CAS_RN 53766-52-2 |
− | FORMULA C20H18O4 | + | FORMULA C20H18O4 |
− | EXACTMASS 322.120509064 | + | EXACTMASS 322.120509064 |
− | AVERAGEMASS 322.35452 | + | AVERAGEMASS 322.35452 |
− | SMILES c(C53)(c(OCC3c(c4)c(O5)cc(O)c4)1)cc(C=2)c(OC(C2)(C)C)c1 | + | SMILES c(C53)(c(OCC3c(c4)c(O5)cc(O)c4)1)cc(C=2)c(OC(C2)(C)C)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/ 24 28 0 0 0 0 0 0 0 0999 V2000 -1.5019 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5019 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9456 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3893 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3893 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9456 1.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7233 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7233 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 1.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2794 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2794 -0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8742 -1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 -0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8742 0.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1729 -0.8449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0632 -1.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0582 1.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6145 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6145 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0582 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9978 1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0632 0.6849 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 14 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 2 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 S SKP 8 ID FLID1ANP0002 KNApSAcK_ID C00009639 NAME Neorautenol CAS_RN 53766-52-2 FORMULA C20H18O4 EXACTMASS 322.120509064 AVERAGEMASS 322.35452 SMILES c(C53)(c(OCC3c(c4)c(O5)cc(O)c4)1)cc(C=2)c(OC(C2)(C)C)c1 M END