Mol:FL2FA9NI0020
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 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
− | -1.5761 -0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5761 -0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0552 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0552 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5344 -0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5344 -0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5344 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5344 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0552 -0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0552 -0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5761 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5761 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0135 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0135 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5074 -0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5074 -0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5074 -0.3212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.5074 -0.3212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | -0.0135 -0.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0135 -0.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0278 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0278 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0135 -1.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0135 -1.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5621 -0.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5621 -0.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0965 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0965 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0965 0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0965 0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5621 0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5621 0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0278 0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0278 0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0552 -1.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0552 -1.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0552 0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0552 0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5761 0.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5761 0.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5761 1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5761 1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0965 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0965 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0558 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0558 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9334 0.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9334 0.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4335 1.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4335 1.1635 0.0000 C 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 6 0 0 0 | + | 9 11 1 6 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 |
− | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
− | 5 19 1 0 0 0 0 | + | 5 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 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
− | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
− | 6 24 1 0 0 0 0 | + | 6 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 26 | + | M SBL 1 1 26 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 26 -1.9334 0.2975 | + | M SVB 1 26 -1.9334 0.2975 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL2FA9NI0020 | + | ID FL2FA9NI0020 |
− | KNApSAcK_ID C00008528 | + | KNApSAcK_ID C00008528 |
− | NAME Tephroleocarpin B | + | NAME Tephroleocarpin B |
− | CAS_RN 138590-94-0 | + | CAS_RN 138590-94-0 |
− | FORMULA C21H20O4 | + | FORMULA C21H20O4 |
− | EXACTMASS 336.136159128 | + | EXACTMASS 336.136159128 |
− | AVERAGEMASS 336.38109999999995 | + | AVERAGEMASS 336.38109999999995 |
− | SMILES COc(c3)c(C=CC(C)=C)c(c(c(O)3)2)O[C@@H](CC(=O)2)c(c1)cccc1 | + | SMILES COc(c3)c(C=CC(C)=C)c(c(c(O)3)2)O[C@@H](CC(=O)2)c(c1)cccc1 |
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 27 0 0 0 0 0 0 0 0999 V2000 -1.5761 -0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0552 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5344 -0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5344 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0552 -0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5761 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0135 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5074 -0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5074 -0.3212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0135 -0.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0278 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0135 -1.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5621 -0.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0965 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0965 0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5621 0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0278 0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0552 -1.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0552 0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5761 0.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5761 1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0965 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0558 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9334 0.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4335 1.1635 0.0000 C 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 6 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 2 18 1 0 0 0 0 5 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 6 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 26 M SMT 1 OCH3 M SVB 1 26 -1.9334 0.2975 S SKP 8 ID FL2FA9NI0020 KNApSAcK_ID C00008528 NAME Tephroleocarpin B CAS_RN 138590-94-0 FORMULA C21H20O4 EXACTMASS 336.136159128 AVERAGEMASS 336.38109999999995 SMILES COc(c3)c(C=CC(C)=C)c(c(c(O)3)2)O[C@@H](CC(=O)2)c(c1)cccc1 M END