Mol:FL1DA9NR0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -2.2357 -1.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6465 -1.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0573 -1.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0573 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6465 -0.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2357 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4004 -2.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2104 -1.6686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8499 -2.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4317 -1.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0123 -2.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5929 -1.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5929 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0123 -0.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4317 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4004 -2.5331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6465 -2.4509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5664 -0.4707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8816 0.1479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5673 0.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1884 0.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1582 0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1884 1.3485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8816 1.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2282 0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1711 1.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1532 2.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8834 2.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5929 -0.3428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0928 0.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 7 16 2 0 0 0 0 2 17 1 0 0 0 0 4 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 1 0 0 0 20 5 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 19 1 0 0 0 0 23 26 1 6 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 6 29 1 0 0 0 0 29 30 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 29 30 M SBL 1 1 32 M SMT 1 OCH3 M SVB 1 32 -2.5929 -0.3428 S SKP 8 ID FL1DA9NR0009 KNApSAcK_ID C00008113 NAME Adunctin C CAS_RN 151484-75-2 FORMULA C26H30O4 EXACTMASS 406.21440944799997 AVERAGEMASS 406.51399999999995 SMILES O(c21)[C@](C4)(C=C[C@@H](C4)C(C)C)Cc(c(OC)cc(O)c2C(CCc(c3)cccc3)=O)1 M END