Mol:LBST03010042
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 9.3835 3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3835 4.7645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5175 5.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6515 4.7645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6515 3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5175 3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6515 1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5175 2.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7855 0.2645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6515 0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7855 -0.7355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6515 -1.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5175 -0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5175 0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8344 0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2466 -0.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8344 -1.0445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2382 -3.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5472 -2.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5254 -1.9955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9021 -4.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -4.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 -3.3624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7855 -1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1945 -2.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5909 -2.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2496 3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2496 5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 -5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7855 5.2645 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 2 29 1 6 0 0 0 22 30 1 0 0 0 0 4 31 1 1 0 0 0 23 27 1 1 0 0 0 1 28 2 0 0 0 0 S SKP 5 ID LBST03010042 FORMULA C28H44O3 EXACTMASS 428.329045274 AVERAGEMASS 428.64716 SMILES C(C(=CC=C(C3)[C@@H]([C@]2(C)CC3)CC[C@@H]2[C@H](C)C=C[C@@H](C(C)(C)O)C)1)[C@H](C[C@H](O)C1=C)O M END