Mol:LBST03010039
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 8.5446 0.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5446 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6786 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8126 -0.1606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8126 0.8394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6786 1.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8615 -0.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2737 0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8615 1.1484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6786 -1.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8126 1.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2653 3.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5743 2.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5525 2.0995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6473 5.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9781 4.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 3.4664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2216 2.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5446 -3.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4106 -3.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6786 -3.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6786 -4.6606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5446 -5.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4106 -4.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5446 -2.1606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4106 -3.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 2.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8126 -5.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4106 -1.6606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2767 -2.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 1 0 0 0 1 6 1 0 0 0 0 4 7 1 6 0 0 0 7 8 1 0 0 0 0 9 8 1 6 0 0 0 5 9 1 0 0 0 0 3 10 2 0 0 0 0 5 11 1 6 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 1 0 0 0 0 9 14 1 0 0 0 0 14 18 1 1 0 0 0 16 19 1 0 0 0 0 20 21 1 0 0 0 0 20 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 21 25 1 0 0 0 0 23 29 1 6 0 0 0 20 26 1 0 0 0 0 10 26 1 0 0 0 0 21 27 2 0 0 0 0 26 30 1 6 0 0 0 17 28 1 6 0 0 0 30 31 1 0 0 0 0 S SKP 5 ID LBST03010039 FORMULA C28H44O3 EXACTMASS 428.329045274 AVERAGEMASS 428.64716 SMILES C(C2=C[C@@H](C(=C3)C(CC[C@H](O)3)=C)OO)CC[C@]([C@H]21)(C)[C@@H]([C@H](C)C=C[C@@H](C(C)C)C)CC1 M END