Mol:FL5FACNI0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 39 0 0 0 0 0 0 0 0999 V2000 -1.0908 -1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0826 -0.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4054 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3274 -1.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3518 -0.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -0.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7672 -0.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0613 -0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7682 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5024 -0.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5179 -1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8257 -1.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4999 -0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4666 0.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7393 1.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 0.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8158 -2.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3955 -2.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0468 -1.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2218 -0.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 1.1038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7781 0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4878 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4978 1.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2148 2.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 2.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7771 -1.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4933 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5032 -2.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7929 -3.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2218 -3.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3473 1.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3374 1.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3866 2.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1023 1.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3964 3.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1557 -0.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 7 8 1 0 0 0 0 8 5 1 0 0 0 0 2 9 2 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 1 2 0 0 0 0 7 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 8 2 0 0 0 0 12 17 1 0 0 0 0 3 18 2 0 0 0 0 4 19 1 0 0 0 0 10 20 1 0 0 0 0 21 14 1 0 0 0 0 9 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 7 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 16 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 13 37 1 0 0 0 0 S SKP 8 ID FL5FACNI0007 KNApSAcK_ID C00013524 NAME Petalostemumol G;2-[3,4-Dihydroxy-2,6-bis(3-methyl-2-butenyl)phenyl]-3,5,7-trihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one CAS_RN 152253-69-5 FORMULA C30H34O7 EXACTMASS 506.230453442 AVERAGEMASS 506.58676 SMILES Oc(c3)c(c(c(c3O)CC=C(C)C)2)C(C(=C(O2)c(c1CC=C(C)C)c(CC=C(C)C)c(O)c(c1)O)O)=O M END