44257430 CDK 1202211635 37 41 0 0 0 0 0 0 0 0999 V2000 7.9402 1.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0942 -2.4087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9718 0.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 -2.4087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0942 -4.8836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 -4.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 -4.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -2.8211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0828 4.4716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 -1.5837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -2.8211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -1.5837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2621 1.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5460 0.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0942 -4.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -3.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 -3.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -2.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0926 2.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 -2.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9750 0.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5429 0.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2772 2.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2558 -0.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 -2.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7905 -0.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 -1.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2657 -1.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6074 2.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7806 -1.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9201 3.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2683 3.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4190 3.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 -2.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -2.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5672 5.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -2.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 23 1 0 0 0 0 2 18 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 3 24 1 0 0 0 0 4 20 1 0 0 0 0 4 27 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 8 25 1 0 0 0 0 8 34 1 0 0 0 0 9 33 1 0 0 0 0 9 36 1 0 0 0 0 10 34 2 0 0 0 0 11 37 1 0 0 0 0 12 37 2 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 18 25 1 0 0 0 0 19 23 2 0 0 0 0 19 29 1 0 0 0 0 22 24 2 0 0 0 0 22 26 1 0 0 0 0 23 31 1 0 0 0 0 24 28 1 0 0 0 0 26 30 2 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 29 32 2 0 0 0 0 31 33 2 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 35 37 1 0 0 0 0 M END > CHEBI:184506 > Medicarpin 3-O-(6'-malonylgluclside) > 2 > 3-oxo-3-[[3,4,5-trihydroxy-6-[(9-methoxy-6a,11a-dihydro-6H-[1]benzouro[3,2-c]chromen-3-yl)oxy]oxan-2-yl]methoxy]propanoic acid > C25H26O12 > 518.471 > 518.14243 > 0 > O1C2C(C3=C1C=C(OC)C=C3)COC4=C2C=CC(OC5OC(C(O)C(O)C5O)COC(=O)CC(O)=O)=C4 > InChI=1S/C25H26O12/c1-32-11-2-4-13-15-9-33-16-7-12(3-5-14(16)24(15)36-17(13)6-11)35-25-23(31)22(30)21(29)18(37-25)10-34-20(28)8-19(26)27/h2-7,15,18,21-25,29-31H,8-10H2,1H3,(H,26,27) > BQAJKXKYTQTBDK-UHFFFAOYSA-N > LMPK12070006 $$$$