Mol:FL1CA9NR0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 2.3985 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3985 0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9548 0.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5111 0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5111 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9548 1.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2653 0.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8216 0.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7092 0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1482 0.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7092 -0.2677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1482 1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4044 1.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9571 1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9571 0.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4044 0.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4044 -0.2504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5096 1.6638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7007 1.6638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4245 0.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9681 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9681 -0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4245 -0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 -0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5111 0.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3747 -0.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6841 -0.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5598 -1.6638 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 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 10 1 0 0 0 0 16 17 1 0 0 0 0 18 15 1 6 0 0 0 14 19 1 0 0 0 0 12 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 18 1 0 0 0 0 22 26 1 0 0 0 0 25 27 1 1 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 S SKP 8 ID FL1CA9NR0001 KNApSAcK_ID C00007129 NAME Linderachalcone CAS_RN 120948-04-1 FORMULA C25H28O4 EXACTMASS 392.19875938399997 AVERAGEMASS 392.48742 SMILES O=C(c(c(O)2)c(cc(c(C(C3C(C)C)C=C(C)CC3)2)O)O)C=Cc(c1)cccc1 M END