Ketcher 02062016392D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 22.5221 -3.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5221 -4.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3881 -3.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3880 -5.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2537 -3.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2537 -4.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1193 -3.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9851 -3.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1193 -5.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9851 -4.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6565 -3.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7908 -3.9865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6566 -5.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7908 -4.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6565 -2.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3881 -2.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1225 -2.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8569 -5.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9249 -5.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9247 -6.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7904 -6.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7903 -7.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6559 -8.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5217 -7.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3874 -8.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2530 -7.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1188 -8.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0589 -6.9853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9244 -8.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9847 -7.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8794 -6.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 4 2 2 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 5 1 0 0 0 6 5 2 0 0 0 8 7 2 0 0 0 9 6 1 0 0 0 10 8 1 0 0 0 10 9 2 0 0 0 11 1 1 0 0 0 2 1 1 0 0 0 12 11 1 0 0 0 13 2 1 0 0 0 14 12 1 0 0 0 14 13 1 0 0 0 11 15 2 0 0 0 3 16 1 0 0 0 7 17 1 0 0 0 10 18 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 14 19 1 1 0 0 20 28 1 1 0 0 22 29 1 1 0 0 27 30 1 0 0 0 18 31 1 0 0 0 M END > CHEBI:146004 > monapinone E > A naphthopyran that is 3,4-dihydronaphtho[2,3-c]pyran-1-one which is substituted by a (2R,4R)-2,4,9-trihydroxynonyl group at position 3 and a methoxy group at position 7. Published in Acta Pharm. Sin. B, 2013, 3, 163-166. See also J. Antibiot., 2011, 64, 503-508. > 3 > monapinone E > (3S)-9,10-dihydroxy-7-methoxy-3-[(2R,4R)-2,4,9-trihydroxynonyl]-3,4-dihydro-1H-naphtho[2,3-c]pyran-1-one > C23H30O8 > 434.485 > 434.19407 > 0 > C12=C(C=3C(=CC(=CC3C=C1C[C@H](OC2=O)C[C@@H](C[C@@H](CCCCCO)O)O)OC)O)O > InChI=1S/C23H30O8/c1-30-17-8-13-7-14-9-18(11-16(26)10-15(25)5-3-2-4-6-24)31-23(29)21(14)22(28)20(13)19(27)12-17/h7-8,12,15-16,18,24-28H,2-6,9-11H2,1H3/t15-,16-,18+/m1/s1 > YHQGYEAIRQPZFF-NUJGCVRESA-N > 23532022; 29468784 $$$$