Mol:FL4DALNI0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 39 0 0 0 0 0 0 0 0999 V2000 -3.9230 0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2029 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9318 -0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2190 -0.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5034 -0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4921 0.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7903 -1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0722 -0.6119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0654 0.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7721 0.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3436 0.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3347 1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3844 1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0927 1.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0864 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3665 0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8052 -1.8434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2339 -1.8239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6299 0.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3654 -1.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8146 1.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3665 -0.5614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8325 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5419 0.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2564 0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2564 -0.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9952 0.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6548 0.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4318 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1590 0.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1590 -0.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8390 0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7174 -1.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4164 -0.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1628 -1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1628 -1.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8390 -0.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 2 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 9 11 1 6 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 7 17 2 0 0 0 0 4 18 1 0 0 0 0 8 20 1 1 0 0 0 1 19 1 0 0 0 0 14 21 1 0 0 0 0 16 22 1 0 0 0 0 15 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 3 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 S SKP 8 ID FL4DALNI0009 KNApSAcK_ID C00014386 NAME Sanggenol K;3,5,7,2',4'-Pentahydroxy-6-prenyl-3'-geranylflavanone CAS_RN 202526-56-5 FORMULA C30H36O7 EXACTMASS 508.246103506 AVERAGEMASS 508.60264000000006 SMILES c(c21)c(O)c(c(c1C(C(C(c(c(O)3)ccc(O)c3CC=C(CCC=C(C)C)C)O2)O)=O)O)CC=C(C)C M END