Mol:FL3FACCS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -1.6839 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6839 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1276 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5713 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5713 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1276 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5413 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5413 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -2.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 -0.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8822 2.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4878 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2309 0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 0.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7607 0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0657 1.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1787 2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5226 2.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8663 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1276 -2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1592 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7455 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3317 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3317 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7455 0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1592 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9175 -0.9533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9175 0.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4724 0.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4724 1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9175 0.6439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6306 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0839 1.1720 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 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 1 12 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 1 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 6 16 1 0 0 0 0 3 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 25 29 1 0 0 0 0 23 9 1 0 0 0 0 26 30 1 0 0 0 0 21 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 18 34 1 0 0 0 0 34 35 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 34 35 M SBL 1 1 37 M SMT 1 CH2OH M SBV 1 37 -6.6484 5.6057 S SKP 8 ID FL3FACCS0008 KNApSAcK_ID C00006140 NAME Orientin 2''-acetate CAS_RN 71880-89-2 FORMULA C23H22O12 EXACTMASS 490.111126168 AVERAGEMASS 490.41358 SMILES Oc(c42)cc(O)c(c(OC(=CC(=O)4)c(c3)ccc(c3O)O)2)C(C(OC(C)=O)1)OC(C(C(O)1)O)CO M END