Mol:Dehydrocostus lactone
From Metabolomics.JP
ACD/Labs12010717152D 21 23 0 0 1 0 0 0 0 0 1 V2000 26.0832 -8.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3804 -6.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9114 -9.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5792 -6.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2415 -9.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0718 -8.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7770 -6.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7583 -8.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2368 -6.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2392 -6.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7590 -4.8527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0678 -4.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6971 -5.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1212 -4.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3333 -10.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2970 -9.3666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.6458 -3.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.0149 -5.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5792 -7.5004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3804 -5.4164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.7770 -5.4185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 1 1 0 0 0 0 2 1 1 0 0 0 0 9 8 1 0 0 0 0 10 2 1 0 0 0 0 10 9 1 0 0 0 0 11 4 1 0 0 0 0 7 4 1 0 0 0 0 12 11 1 0 0 0 0 13 7 1 0 0 0 0 13 12 1 0 0 0 0 10 14 2 0 0 0 0 3 15 2 0 0 0 0 1 16 1 1 0 0 0 12 17 2 0 0 0 0 13 18 2 0 0 0 0 4 19 1 6 0 0 0 2 20 1 1 0 0 0 7 21 1 1 0 0 0 S SKP 5 ID Dehydrocostus lactone FORMULA C15H18O2 EXACTMASS 230.13067981999998 AVERAGEMASS 230.30222 SMILES O=C(O1)C(=C)C([H])(C2)C([H])1C([H])(C(=C)3)C([H])(CC3)C(=C)C2 M END
