CDK 1029232202 35 36 0 0 0 0 0 0 0 0999 V2000 0.7144 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 4.9500 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 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 14 9 1 0 0 0 0 10 15 1 0 0 0 0 14 16 1 1 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 26 2 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 21 29 1 0 0 0 0 23 30 2 0 0 0 0 25 31 1 0 0 0 0 25 32 1 0 0 0 0 30 33 1 0 0 0 0 31 34 1 0 0 0 0 32 35 1 0 0 0 0 11 13 1 0 0 0 0 24 30 1 0 0 0 0 M END > CHEBI:203603 > Talaromycin C > 2 > methyl 3-(1-acetyloxy-3-methylbutyl)-6-[2-(dimethoxymethyl)-6-hydroxy-4-methylphenoxy]-2-methoxybenzoate > C26H34O9 > 490.549 > 490.22028 > 0 > O=C(OC)C1=C(OC)C(=CC=C1OC2=C(O)C=C(C)C=C2C(OC)OC)[C@@H](OC(=O)C)CC(C)C > InChI=1S/C26H34O9/c1-14(2)11-21(34-16(4)27)17-9-10-20(22(24(17)30-5)25(29)31-6)35-23-18(26(32-7)33-8)12-15(3)13-19(23)28/h9-10,12-14,21,26,28H,11H2,1-8H3/t21-/m0/s1 > PXQCIAJEPYUGQU-NRFANRHFSA-N $$$$