Mol:LBST03010057
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 9.4106 3.6606 0.0000 C 0 0 1 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 5.1606 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 7.6786 3.6606 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 7.6786 1.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5446 2.1606 0.0000 C 0 0 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 7.6786 0.6606 0.0000 C 0 0 0 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 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 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 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 6.8126 -1.8394 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 6.2216 -2.8426 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 10.4106 3.6606 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 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 0 0 0 0 1 6 1 0 0 0 0 7 8 1 0 0 0 0 6 8 2 0 0 0 0 9 10 1 0 0 0 0 7 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 10 14 1 0 0 0 0 9 15 1 1 0 0 0 15 16 1 0 0 0 0 17 16 1 1 0 0 0 11 17 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 18 23 1 0 0 0 0 17 20 1 0 0 0 0 11 24 1 1 0 0 0 22 25 1 0 0 0 0 20 26 1 6 0 0 0 23 27 1 1 0 0 0 1 28 1 6 0 0 0 4 29 1 6 0 0 0 S SKP 5 ID LBST03010057 FORMULA C28H46O EXACTMASS 398.354866094 AVERAGEMASS 398.66424 SMILES C[C@@H](C1)C(=CC=C(C3)[C@H](C2)[C@@](CC3)(C)[C@H](C2)[C@H](C)C=C[C@@H](C(C)C)C)C[C@@H](C1)O M END