Mol:FL7AAGGL0020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 56 60 0 0 0 0 0 0 0 0999 V2000 -1.8617 0.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8617 -0.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1472 -0.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4327 -0.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4327 0.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1472 0.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2817 -0.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9962 -0.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9962 0.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2817 0.8698 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.7104 0.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4386 0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1666 0.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1666 1.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4386 2.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7104 1.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5759 0.8696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8946 2.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1472 -1.6048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7781 -0.8808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4386 2.9715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9198 -1.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4430 -2.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7566 -2.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0943 -2.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5755 -1.5832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1760 -1.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3926 -1.9475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0404 -2.3763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1351 -2.4859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5668 -1.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8227 -0.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4364 -0.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1793 -0.7080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9267 -0.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3132 -0.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5702 -0.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1052 -0.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0425 0.0032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8514 -0.4094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6352 -0.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9307 -1.5959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9269 -2.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6198 -2.9337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0334 -2.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5668 -0.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2351 -0.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9264 -0.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2351 0.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8946 0.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0215 1.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6198 0.6249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0201 1.7646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2844 -2.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2844 -1.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5372 -2.9704 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 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 15 21 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 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 27 31 1 0 0 0 0 25 19 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 32 38 1 0 0 0 0 37 39 1 0 0 0 0 36 40 1 0 0 0 0 35 41 1 0 0 0 0 20 33 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 31 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 13 50 1 0 0 0 0 49 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 2 0 0 0 0 45 54 1 0 0 0 0 54 55 2 0 0 0 0 54 56 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AAGGL0020 FORMULA C33H35O23 EXACTMASS 799.156912426 AVERAGEMASS 799.6171999999999 SMILES OC(=O)CC(OCC(O1)C(O)C(O)C(C(Oc(c24)cc(cc([o+1]c(c(OC(O5)C(C(O)C(C(COC(=O)CC(O)=O)5)O)O)c4)c(c3)cc(O)c(c(O)3)O)2)O)1)O)=O M END