Mol:FL3FACCS0013
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
− | -1.7557 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7557 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7557 -1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7557 -1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0412 -2.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0412 -2.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3268 -1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3268 -1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3268 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3268 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0412 -0.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0412 -0.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3876 -2.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3876 -2.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1020 -1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1020 -1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1020 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1020 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3876 -0.4572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3876 -0.4572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3890 -2.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3890 -2.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4698 -0.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4698 -0.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4649 2.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4649 2.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5033 1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5033 1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6418 1.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6418 1.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0434 0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0434 0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2307 0.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2307 0.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1988 1.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1988 1.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5275 2.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5275 2.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2095 2.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2095 2.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5967 0.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5967 0.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0412 -2.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0412 -2.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8957 -0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8957 -0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6485 -0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6485 -0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4014 -0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4014 -0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4014 0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4014 0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6485 0.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6485 0.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8957 0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8957 0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1538 0.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1538 0.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1538 -0.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1538 -0.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6283 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6283 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9773 0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9773 0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1846 0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1846 0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5962 1.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5962 1.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6727 1.6258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6727 1.6258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9773 1.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9773 1.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1846 0.1231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1846 0.1231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6283 0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6283 0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1538 1.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1538 1.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6954 1.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6954 1.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2251 0.7287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2251 0.7287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 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 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
− | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
− | 14 15 1 1 0 0 0 | + | 14 15 1 1 0 0 0 |
− | 16 15 1 1 0 0 0 | + | 16 15 1 1 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
− | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
− | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
− | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
− | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
− | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
− | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
− | 23 24 2 0 0 0 0 | + | 23 24 2 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 |
− | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
− | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
− | 23 9 1 0 0 0 0 | + | 23 9 1 0 0 0 0 |
− | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
− | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
− | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
− | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
− | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 35 31 1 0 0 0 0 | + | 35 31 1 0 0 0 0 |
− | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
− | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
− | 34 21 1 0 0 0 0 | + | 34 21 1 0 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
− | 31 38 1 0 0 0 0 | + | 31 38 1 0 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | 18 40 1 0 0 0 0 | + | 18 40 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 38 39 | + | M SAL 1 2 38 39 |
− | M SBL 1 1 43 | + | M SBL 1 1 43 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SBV 1 43 0.0000 0.9902 | + | M SBV 1 43 0.0000 0.9902 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 40 41 | + | M SAL 2 2 40 41 |
− | M SBL 2 1 45 | + | M SBL 2 1 45 |
− | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
− | M SBV 2 45 -0.8942 -0.2669 | + | M SBV 2 45 -0.8942 -0.2669 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL3FACCS0013 | + | ID FL3FACCS0013 |
− | FORMULA C26H28O15 | + | FORMULA C26H28O15 |
− | EXACTMASS 580.1428202259999 | + | EXACTMASS 580.1428202259999 |
− | AVERAGEMASS 580.49152 | + | AVERAGEMASS 580.49152 |
− | SMILES C(O)C(C(O)1)OC(OC(C(O)2)C(c(c34)c(cc(c3C(C=C(c(c5)ccc(O)c5O)O4)=O)O)O)OC(C2O)CO)C(O)1 | + | SMILES C(O)C(C(O)1)OC(OC(C(O)2)C(c(c34)c(cc(c3C(C=C(c(c5)ccc(O)c5O)O4)=O)O)O)OC(C2O)CO)C(O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 -1.7557 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7557 -1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0412 -2.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3268 -1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3268 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0412 -0.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3876 -2.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3876 -0.4572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -2.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4698 -0.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4649 2.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5033 1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6418 1.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0434 0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2307 0.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1988 1.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5275 2.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2095 2.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5967 0.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0412 -2.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8957 -0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6485 -0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4014 -0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4014 0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6485 0.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8957 0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1538 0.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1538 -0.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6283 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9773 0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1846 0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5962 1.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6727 1.6258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9773 1.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1846 0.1231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6283 0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1538 1.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6954 1.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2251 0.7287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 7 11 2 0 0 0 0 1 12 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 1 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 6 16 1 0 0 0 0 3 22 1 0 0 0 0 23 24 2 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 27 28 2 0 0 0 0 28 23 1 0 0 0 0 23 9 1 0 0 0 0 26 29 1 0 0 0 0 25 30 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 31 1 0 0 0 0 32 36 1 0 0 0 0 33 37 1 0 0 0 0 34 21 1 0 0 0 0 38 39 1 0 0 0 0 31 38 1 0 0 0 0 40 41 1 0 0 0 0 18 40 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 38 39 M SBL 1 1 43 M SMT 1 CH2OH M SBV 1 43 0.0000 0.9902 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 40 41 M SBL 2 1 45 M SMT 2 CH2OH M SBV 2 45 -0.8942 -0.2669 S SKP 5 ID FL3FACCS0013 FORMULA C26H28O15 EXACTMASS 580.1428202259999 AVERAGEMASS 580.49152 SMILES C(O)C(C(O)1)OC(OC(C(O)2)C(c(c34)c(cc(c3C(C=C(c(c5)ccc(O)c5O)O4)=O)O)O)OC(C2O)CO)C(O)1 M END