Mol:FL7AAIGL0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 58 63 0 0 0 0 0 0 0 0999 V2000 -2.3145 0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3145 -0.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5997 -0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8849 -0.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8849 0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5997 0.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1702 -0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5446 -0.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5446 0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1702 0.6788 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.2591 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9876 0.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7161 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7161 1.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9876 1.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2591 1.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0290 0.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4383 1.8928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5983 -1.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3474 -1.0521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5359 -0.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1911 -1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 -1.1601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5207 -1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8654 -0.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2026 -0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8833 -0.7186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5304 -0.4702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6155 -0.9926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2452 -1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7023 -1.9164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1926 -2.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6969 -3.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -2.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9463 -3.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1381 -3.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7465 -2.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9633 -2.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5715 -3.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9632 -3.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7464 -3.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2111 -3.0919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1880 -1.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7110 -2.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0243 -1.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3617 -1.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8431 -1.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4441 -1.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7023 -1.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4898 -2.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2596 -2.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6225 -2.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0022 -2.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6225 -3.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3217 0.2441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6066 0.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0025 2.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5696 3.7703 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 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 11 1 0 0 0 0 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 22 20 1 0 0 0 0 24 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 36 1 0 0 0 0 39 42 1 0 0 0 0 43 44 1 1 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 43 1 0 0 0 0 43 49 1 0 0 0 0 44 50 1 0 0 0 0 45 51 1 0 0 0 0 46 19 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 52 54 2 0 0 0 0 55 56 1 0 0 0 0 13 55 1 0 0 0 0 57 58 1 0 0 0 0 15 57 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 55 56 M SBL 1 1 61 M SMT 1 OCH3 M SBV 1 61 -0.6056 0.4345 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 57 58 M SBL 2 1 63 M SMT 2 OCH3 M SBV 2 63 -0.0149 -0.6770 S SKP 5 ID FL7AAIGL0015 FORMULA C39H41O19 EXACTMASS 813.22420413 AVERAGEMASS 813.73144 SMILES OC(C(O)1)C(OC(C)=O)C(Oc(c6)c(c3cc6O)cc(OC(O4)C(O)C(C(O)C4COC(C=Cc(c5)ccc(O)c5)=O)O)c([o+1]3)c(c2)cc(c(c2OC)O)OC)OC1 M END