CDK 1030232200 41 45 0 0 0 0 0 0 0 0999 V2000 3.5724 -2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -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 5.0014 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 -2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 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 5.7159 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 -1.6500 0.0000 C 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 6.4304 -2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 -2.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8594 -2.4751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5738 -2.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4290 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2883 -2.4751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1449 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4290 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1435 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2883 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0029 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0029 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 0.0000 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 3 6 2 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 2 0 0 0 0 9 14 1 0 0 0 0 10 15 2 0 0 0 0 12 16 2 0 0 0 0 14 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 20 18 1 1 0 0 0 21 19 1 1 0 0 0 20 22 1 0 0 0 0 23 20 1 0 0 0 0 21 24 1 0 0 0 0 25 21 1 0 0 0 0 26 22 1 0 0 0 0 23 27 1 6 0 0 0 28 23 1 0 0 0 0 29 24 1 0 0 0 0 25 30 1 6 0 0 0 31 25 1 0 0 0 0 32 26 1 0 0 0 0 26 33 1 6 0 0 0 28 34 1 6 0 0 0 35 29 1 0 0 0 0 29 36 1 6 0 0 0 31 37 1 6 0 0 0 32 38 1 1 0 0 0 34 39 1 0 0 0 0 35 40 1 1 0 0 0 37 41 1 0 0 0 0 7 11 1 0 0 0 0 13 16 1 0 0 0 0 15 17 1 0 0 0 0 28 32 1 0 0 0 0 31 35 1 0 0 0 0 M END > CHEBI:206228 > Termisoflavone C > 2 > 7-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3-[4-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one > C29H34O12 > 574.579 > 574.20503 > 0 > O=C1C(C2=CC=C(O[C@@H]3O[C@H]([C@H](O)[C@H]([C@H]3O)OC)C)C=C2)=COC4=C1C=CC(=C4)O[C@@H]5O[C@H]([C@H](O)[C@H]([C@H]5O)OC)C > InChI=1S/C29H34O12/c1-13-21(30)26(35-3)24(33)28(38-13)40-16-7-5-15(6-8-16)19-12-37-20-11-17(9-10-18(20)23(19)32)41-29-25(34)27(36-4)22(31)14(2)39-29/h5-14,21-22,24-31,33-34H,1-4H3/t13-,14-,21-,22-,24+,25+,26+,27+,28-,29-/m0/s1 > RTRRNASIAZHUPE-JIGWJBEDSA-N $$$$