Mol:PR100669
From Metabolomics.JP
ACD/Labs08070914112D 32 35 0 0 1 0 0 0 0 0 1 V2000 20.2931 -5.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2931 -5.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0223 -6.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5667 -6.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0154 -4.6643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5667 -4.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7550 -5.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0223 -7.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8541 -5.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5633 -7.1706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7481 -5.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8541 -5.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4649 -4.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1379 -4.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4614 -3.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1802 -5.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4184 -5.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1706 -3.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9004 -4.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6955 -4.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4184 -5.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8935 -3.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9793 -5.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6955 -6.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1379 -6.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5994 -3.4145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9793 -5.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2736 -4.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6989 -7.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2736 -6.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6433 -5.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6155 -5.0758 0.0000 O 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 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 2 0 0 0 0 4 9 2 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 17 14 1 1 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 2 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 6 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 23 28 1 1 0 0 0 24 29 1 1 0 0 0 27 30 1 6 0 0 0 28 31 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 19 22 1 0 0 0 0 24 27 1 0 0 0 0 19 32 1 0 0 0 0 S SKP 7 CAS_RN 5373-11-5 NAME luteolin-7-O-glucoside ID PR100669 FORMULA C21H20O11 EXACTMASS 448.100561482 AVERAGEMASS 448.3769 SMILES OCC(O1)C(O)C(O)C(O)C1Oc(c4)cc(O2)c(c(O)4)C(=O)C=C2c(c3)cc(O)c(O)c3 M END