Mol:FL3FAADS0017
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 53 58 0 0 0 0 0 0 0 0999 V2000 | + | 53 58 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.4854 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4854 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4854 0.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4854 0.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0709 -0.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0709 -0.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6272 0.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6272 0.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6272 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6272 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0709 1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0709 1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1835 -0.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1835 -0.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7398 0.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7398 0.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7398 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7398 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1835 1.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1835 1.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1835 -0.5756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1835 -0.5756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0709 -0.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0709 -0.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4196 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4196 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0058 0.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0058 0.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5920 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5920 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5920 1.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5920 1.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0058 2.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0058 2.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4196 1.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4196 1.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1779 2.3281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1779 2.3281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0388 0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0388 0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5232 -0.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5232 -0.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0076 -0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0076 -0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3063 -0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3063 -0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8013 0.1050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8013 0.1050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3582 -0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3582 -0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4705 -0.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4705 -0.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1656 -0.6581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1656 -0.6581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1619 1.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1619 1.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6982 -0.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6982 -0.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7813 -1.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7813 -1.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2657 -2.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2657 -2.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7501 -1.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7501 -1.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0488 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0488 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5438 -1.4212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5438 -1.4212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1007 -1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1007 -1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1779 -1.7533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1779 -1.7533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9081 -2.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9081 -2.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4407 -2.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4407 -2.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6369 1.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6369 1.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1213 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1213 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6057 1.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6057 1.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9044 1.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9044 1.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3994 1.6932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3994 1.6932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9563 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9563 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0335 1.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0335 1.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7637 0.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7637 0.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2963 0.7861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2963 0.7861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2389 -1.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2389 -1.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0358 -1.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0358 -1.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0945 1.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0945 1.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8914 2.0370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8914 2.0370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5200 0.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5200 0.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3169 0.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3169 0.4489 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 |
| − | 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 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 33 29 1 0 0 0 0 | + | 33 29 1 0 0 0 0 |
| − | 39 40 1 1 0 0 0 | + | 39 40 1 1 0 0 0 |
| − | 40 41 1 1 0 0 0 | + | 40 41 1 1 0 0 0 |
| − | 42 41 1 1 0 0 0 | + | 42 41 1 1 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 44 39 1 0 0 0 0 | + | 44 39 1 0 0 0 0 |
| − | 39 45 1 0 0 0 0 | + | 39 45 1 0 0 0 0 |
| − | 40 46 1 0 0 0 0 | + | 40 46 1 0 0 0 0 |
| − | 41 47 1 0 0 0 0 | + | 41 47 1 0 0 0 0 |
| − | 42 28 1 0 0 0 0 | + | 42 28 1 0 0 0 0 |
| − | 35 48 1 0 0 0 0 | + | 35 48 1 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 44 50 1 0 0 0 0 | + | 44 50 1 0 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 25 52 1 0 0 0 0 | + | 25 52 1 0 0 0 0 |
| − | 52 53 1 0 0 0 0 | + | 52 53 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 48 49 | + | M SAL 1 2 48 49 |
| − | M SBL 1 1 53 | + | M SBL 1 1 53 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 53 -5.5076 7.8872 | + | M SBV 1 53 -5.5076 7.8872 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 50 51 | + | M SAL 2 2 50 51 |
| − | M SBL 2 1 55 | + | M SBL 2 1 55 |
| − | M SMT 2 ^CH2OH | + | M SMT 2 ^CH2OH |
| − | M SBV 2 55 -5.5076 7.8872 | + | M SBV 2 55 -5.5076 7.8872 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 52 53 | + | M SAL 3 2 52 53 |
| − | M SBL 3 1 57 | + | M SBL 3 1 57 |
| − | M SMT 3 ^CH2OH | + | M SMT 3 ^CH2OH |
| − | M SBV 3 57 -5.5313 7.8872 | + | M SBV 3 57 -5.5313 7.8872 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAADS0017 | + | ID FL3FAADS0017 |
| − | KNApSAcK_ID C00006322 | + | KNApSAcK_ID C00006322 |
| − | NAME Isovitexin 7,2''-di-O-glucoside | + | NAME Isovitexin 7,2''-di-O-glucoside |
| − | CAS_RN 83213-36-9 | + | CAS_RN 83213-36-9 |
| − | FORMULA C33H40O20 | + | FORMULA C33H40O20 |
| − | EXACTMASS 756.21129372 | + | EXACTMASS 756.21129372 |
| − | AVERAGEMASS 756.6587 | + | AVERAGEMASS 756.6587 |
| − | SMILES C(=C5)(c(c6)ccc(O)c6)Oc(c(C5=O)1)cc(OC(O4)C(C(O)C(O)C4CO)O)c(C(C2OC(C3O)OC(C(C3O)O)CO)OC(CO)C(C(O)2)O)c1O | + | SMILES C(=C5)(c(c6)ccc(O)c6)Oc(c(C5=O)1)cc(OC(O4)C(C(O)C(O)C4CO)O)c(C(C2OC(C3O)OC(C(C3O)O)CO)OC(CO)C(C(O)2)O)c1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-0.4854 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4854 0.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0709 -0.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6272 0.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6272 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0709 1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1835 -0.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7398 0.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7398 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1835 1.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1835 -0.5756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0709 -0.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4196 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0058 0.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5920 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5920 1.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0058 2.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4196 1.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1779 2.3281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0388 0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5232 -0.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0076 -0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3063 -0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8013 0.1050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3582 -0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4705 -0.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1656 -0.6581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1619 1.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6982 -0.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7813 -1.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2657 -2.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7501 -1.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0488 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5438 -1.4212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1007 -1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1779 -1.7533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9081 -2.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4407 -2.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6369 1.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1213 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6057 1.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9044 1.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3994 1.6932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9563 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0335 1.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7637 0.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2963 0.7861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2389 -1.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0358 -1.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0945 1.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8914 2.0370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5200 0.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3169 0.4489 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
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
16 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
2 23 1 0 0 0 0
1 28 1 0 0 0 0
22 29 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 29 1 0 0 0 0
39 40 1 1 0 0 0
40 41 1 1 0 0 0
42 41 1 1 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 39 1 0 0 0 0
39 45 1 0 0 0 0
40 46 1 0 0 0 0
41 47 1 0 0 0 0
42 28 1 0 0 0 0
35 48 1 0 0 0 0
48 49 1 0 0 0 0
44 50 1 0 0 0 0
50 51 1 0 0 0 0
25 52 1 0 0 0 0
52 53 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 48 49
M SBL 1 1 53
M SMT 1 ^CH2OH
M SBV 1 53 -5.5076 7.8872
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 50 51
M SBL 2 1 55
M SMT 2 ^CH2OH
M SBV 2 55 -5.5076 7.8872
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 52 53
M SBL 3 1 57
M SMT 3 ^CH2OH
M SBV 3 57 -5.5313 7.8872
S SKP 8
ID FL3FAADS0017
KNApSAcK_ID C00006322
NAME Isovitexin 7,2''-di-O-glucoside
CAS_RN 83213-36-9
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES C(=C5)(c(c6)ccc(O)c6)Oc(c(C5=O)1)cc(OC(O4)C(C(O)C(O)C4CO)O)c(C(C2OC(C3O)OC(C(C3O)O)CO)OC(CO)C(C(O)2)O)c1O
M END
