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 | ||
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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