Mol:FL3FCBCS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8081 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8081 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8081 0.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8081 0.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2518 -0.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2518 -0.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3045 0.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3045 0.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3045 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3045 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2518 1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2518 1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8608 -0.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8608 -0.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4171 0.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4171 0.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4171 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4171 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8608 1.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8608 1.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8608 -0.5756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8608 -0.5756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2518 -0.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2518 -0.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0970 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0970 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6832 0.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6832 0.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2694 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2694 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2694 1.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2694 1.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6832 2.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6832 2.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0970 1.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0970 1.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3615 0.0019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.3615 0.0019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.8458 -0.5756 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.8458 -0.5756 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.3302 -0.2662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.3302 -0.2662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.6290 -0.3487 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.6290 -0.3487 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.1240 0.1050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1240 0.1050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6808 -0.1631 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.6808 -0.1631 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.9774 -0.3537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9774 -0.3537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4882 -0.6581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4882 -0.6581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0208 -0.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0208 -0.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1040 -1.5243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -4.1040 -1.5243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.5883 -2.1018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.5883 -2.1018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -3.0727 -1.7925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.0727 -1.7925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.3715 -1.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.3715 -1.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.8665 -1.4212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8665 -1.4212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4233 -1.6893 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.4233 -1.6893 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -4.5697 -1.7933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5697 -1.7933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2307 -2.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2307 -2.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7633 -2.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7633 -2.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2708 0.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2708 0.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6833 1.3774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6833 1.3774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1653 1.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1653 1.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6653 2.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6653 2.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5199 -1.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5199 -1.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3168 -1.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3168 -1.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8553 2.3281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8553 2.3281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5697 1.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5697 1.9156 0.0000 C 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 |
| − | 3 12 1 0 0 0 0 | + | 3 12 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 31 30 1 1 0 0 0 | + | 31 30 1 1 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
| − | 28 34 1 0 0 0 0 | + | 28 34 1 0 0 0 0 |
| − | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 31 27 1 0 0 0 0 | + | 31 27 1 0 0 0 0 |
| − | 24 37 1 0 0 0 0 | + | 24 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 1 39 1 0 0 0 0 | + | 1 39 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 16 43 1 0 0 0 0 | + | 16 43 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 41 42 | + | M SAL 4 2 41 42 |
| − | M SBL 4 1 45 | + | M SBL 4 1 45 |
| − | M SMT 4 CH2OH | + | M SMT 4 CH2OH |
| − | M SVB 4 45 -3.5199 -1.2909 | + | M SVB 4 45 -3.5199 -1.2909 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 37 38 | + | M SAL 3 2 37 38 |
| − | M SBL 3 1 41 | + | M SBL 3 1 41 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 41 -2.8664 0.8349 | + | M SVB 3 41 -2.8664 0.8349 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 43 44 | + | M SAL 2 2 43 44 |
| − | M SBL 2 1 47 | + | M SBL 2 1 47 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 47 3.8553 2.3281 | + | M SVB 2 47 3.8553 2.3281 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 39 40 | + | M SAL 1 2 39 40 |
| − | M SBL 1 1 43 | + | M SBL 1 1 43 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 43 -1.1653 1.5075 | + | M SVB 1 43 -1.1653 1.5075 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FCBCS0006 | + | ID FL3FCBCS0006 |
| − | KNApSAcK_ID C00006296 | + | KNApSAcK_ID C00006296 |
| − | NAME Embinoidin | + | NAME Embinoidin |
| − | CAS_RN 88721-10-2 | + | CAS_RN 88721-10-2 |
| − | FORMULA C29H34O15 | + | FORMULA C29H34O15 |
| − | EXACTMASS 622.189770418 | + | EXACTMASS 622.189770418 |
| − | AVERAGEMASS 622.5712599999999 | + | AVERAGEMASS 622.5712599999999 |
| − | SMILES C(O)C(O2)[C@H](O)[C@H](O)[C@@H]([C@@H]2c(c5OC)c(O)c(C4=O)c(c5)OC(=C4)c(c3)ccc(OC)c3)O[C@@H]([C@@H](O)1)OC([C@H](O)[C@@H]1O)CO | + | SMILES C(O)C(O2)[C@H](O)[C@H](O)[C@@H]([C@@H]2c(c5OC)c(O)c(C4=O)c(c5)OC(=C4)c(c3)ccc(OC)c3)O[C@@H]([C@@H](O)1)OC([C@H](O)[C@@H]1O)CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-0.8081 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8081 0.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2518 -0.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3045 0.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3045 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2518 1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8608 -0.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4171 0.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4171 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8608 1.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8608 -0.5756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2518 -0.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0970 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6832 0.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2694 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2694 1.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6832 2.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0970 1.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3615 0.0019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8458 -0.5756 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3302 -0.2662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6290 -0.3487 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1240 0.1050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6808 -0.1631 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.9774 -0.3537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4882 -0.6581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0208 -0.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1040 -1.5243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.5883 -2.1018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.0727 -1.7925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3715 -1.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8665 -1.4212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4233 -1.6893 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.5697 -1.7933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2307 -2.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7633 -2.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2708 0.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6833 1.3774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1653 1.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6653 2.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5199 -1.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3168 -1.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8553 2.3281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5697 1.9156 0.0000 C 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
3 12 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
2 22 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 1 0 0 0
29 30 1 1 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
31 27 1 0 0 0 0
24 37 1 0 0 0 0
37 38 1 0 0 0 0
1 39 1 0 0 0 0
39 40 1 0 0 0 0
33 41 1 0 0 0 0
41 42 1 0 0 0 0
16 43 1 0 0 0 0
43 44 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 41 42
M SBL 4 1 45
M SMT 4 CH2OH
M SVB 4 45 -3.5199 -1.2909
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 37 38
M SBL 3 1 41
M SMT 3 CH2OH
M SVB 3 41 -2.8664 0.8349
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 43 44
M SBL 2 1 47
M SMT 2 OCH3
M SVB 2 47 3.8553 2.3281
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 43
M SMT 1 OCH3
M SVB 1 43 -1.1653 1.5075
S SKP 8
ID FL3FCBCS0006
KNApSAcK_ID C00006296
NAME Embinoidin
CAS_RN 88721-10-2
FORMULA C29H34O15
EXACTMASS 622.189770418
AVERAGEMASS 622.5712599999999
SMILES C(O)C(O2)[C@H](O)[C@H](O)[C@@H]([C@@H]2c(c5OC)c(O)c(C4=O)c(c5)OC(=C4)c(c3)ccc(OC)c3)O[C@@H]([C@@H](O)1)OC([C@H](O)[C@@H]1O)CO
M END
