CDK 1030232200 27 29 0 0 0 0 0 0 0 0999 V2000 1.6166 1.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2296 0.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0366 0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8970 -0.3355 0.0000 C 0 0 1 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 3.4491 1.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4491 0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0685 -1.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0366 2.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2741 1.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2741 0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4555 -1.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8532 -1.3974 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 0.0000 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2116 2.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6866 0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6709 -1.4396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 -2.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0247 -2.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 0.9920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 -3.0535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4117 -2.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8094 -2.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1855 -3.8605 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 5 3 1 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 1 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 2 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 2 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 15 22 2 0 0 0 0 19 23 1 0 0 0 0 21 24 1 0 0 0 0 21 25 2 0 0 0 0 22 26 1 0 0 0 0 24 27 1 0 0 0 0 5 8 1 0 0 0 0 13 19 1 0 0 0 0 22 25 1 0 0 0 0 M END > CHEBI:209441 > Daldinan B > 2 > 2-[6-hydroxy-1-(2-hydroxy-3-methoxy-5-methylphenyl)-4-methoxy-3-oxo-1H-isoindol-2-yl]acetic acid > C19H19NO7 > 373.361 > 373.11615 > 0 > O=C1N([C@H](C2=C(O)C(OC)=CC(=C2)C)C=3C1=C(OC)C=C(O)C3)CC(=O)O > InChI=1S/C19H19NO7/c1-9-4-12(18(24)14(5-9)27-3)17-11-6-10(21)7-13(26-2)16(11)19(25)20(17)8-15(22)23/h4-7,17,21,24H,8H2,1-3H3,(H,22,23)/t17-/m0/s1 > MBLXGHZGBFIPBW-KRWDZBQOSA-N $$$$