Mol:FL1C3CGS0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 35 0 0 0 0 0 0 0 0999 V2000 -0.9718 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9718 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4178 -0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1362 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1362 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4178 0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2425 -0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7938 -0.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8823 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4207 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4207 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8823 0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -1.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4178 -1.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5255 0.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9589 0.7791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9589 -0.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5718 0.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2256 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2073 0.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5955 0.6821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1048 0.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9589 0.3669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7653 0.1071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4413 -0.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 -0.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9939 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1518 0.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9487 1.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 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 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 7 16 2 0 0 0 0 3 17 1 0 0 0 0 1 18 1 0 0 0 0 13 19 1 0 0 0 0 12 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 18 1 0 0 0 0 2 30 1 0 0 0 0 30 31 1 0 0 0 0 26 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 32 M SMT 1 ^OCH3 M SBV 1 32 -9.5211 4.7337 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 32 33 M SBL 2 1 34 M SMT 2 ^CH2OH M SBV 2 34 -8.8316 5.1143 S SKP 8 ID FL1C3CGS0018 KNApSAcK_ID C00007909 NAME Lanceolin CAS_RN 64181-95-9 FORMULA C22H24O11 EXACTMASS 464.13186161 AVERAGEMASS 464.41936000000004 SMILES OC(C1O)C(Oc(c(OC)2)ccc(C(=O)C=Cc(c3)cc(c(O)c3)O)c(O)2)OC(CO)C1O M END