Mol:FL7AAGGL0020
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 56 60 0 0 0 0 0 0 0 0999 V2000 | + | 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 0.4574 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 | + | -1.8617 -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 | + | -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 -0.3677 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 | + | -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 | + | -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 | + | 0.2817 -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 -0.3677 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 | + | 0.9962 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 | + | 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 | + | 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 | + | 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 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 | + | 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 | + | 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 | + | 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 | + | -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 | + | 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 | + | -1.1472 -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 | + | 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 | + | 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 | + | -3.9198 -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 | + | -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 | + | -2.7566 -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 | + | -2.0943 -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 | + | -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 | + | -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 | + | -4.3926 -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 | + | -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 | + | -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 | + | -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 | + | 2.8227 -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 | + | 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 | + | 3.1793 -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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 4.0425 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 | + | 4.8514 -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 | + | 4.6352 -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 | + | 4.9307 -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 | + | 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 | + | 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 | + | 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 | + | -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 | + | -4.2351 -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 | + | -4.9264 -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 | + | -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 | + | 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 | + | -5.0215 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 | + | -5.6198 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 | + | -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 -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 | + | 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 | + | 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 | + | 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | 36 40 1 0 0 0 0 | + | 36 40 1 0 0 0 0 |
| − | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
| − | 20 33 1 0 0 0 0 | + | 20 33 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
| − | 43 45 1 0 0 0 0 | + | 43 45 1 0 0 0 0 |
| − | 31 46 1 0 0 0 0 | + | 31 46 1 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 48 2 0 0 0 0 | + | 47 48 2 0 0 0 0 |
| − | 47 49 1 0 0 0 0 | + | 47 49 1 0 0 0 0 |
| − | 13 50 1 0 0 0 0 | + | 13 50 1 0 0 0 0 |
| − | 49 51 1 0 0 0 0 | + | 49 51 1 0 0 0 0 |
| − | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
| − | 51 53 2 0 0 0 0 | + | 51 53 2 0 0 0 0 |
| − | 45 54 1 0 0 0 0 | + | 45 54 1 0 0 0 0 |
| − | 54 55 2 0 0 0 0 | + | 54 55 2 0 0 0 0 |
| − | 54 56 1 0 0 0 0 | + | 54 56 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAGGL0020 | + | ID FL7AAGGL0020 |
| − | FORMULA C33H35O23 | + | FORMULA C33H35O23 |
| − | EXACTMASS 799.156912426 | + | EXACTMASS 799.156912426 |
| − | AVERAGEMASS 799.6171999999999 | + | 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 | + | 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 | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
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
