42607998 CDK 0910211424 35 39 0 0 0 0 0 0 0 0999 V2000 8.4723 -0.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0063 -1.4256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0277 1.1869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5787 -2.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0063 1.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6130 1.3027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5638 1.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7880 2.7316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0939 -1.4455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3223 -0.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1380 -0.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1497 -1.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4352 -1.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8641 -1.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7208 -1.0131 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7714 0.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5505 0.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7208 -0.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4352 -2.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8641 -2.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1497 -2.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0063 0.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3755 0.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1380 1.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2918 -1.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2918 -0.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7880 1.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5505 2.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5543 0.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5543 -1.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3755 2.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8068 -1.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8068 -0.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0255 0.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7208 -1.7143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 2 25 1 0 0 0 0 3 16 1 0 0 0 0 4 20 1 0 0 0 0 5 22 2 0 0 0 0 6 27 1 0 0 0 0 6 34 1 0 0 0 0 7 29 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 20 2 0 0 0 0 15 18 1 0 0 0 0 15 35 1 6 0 0 0 17 23 2 0 0 0 0 17 24 1 0 0 0 0 18 22 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 24 28 2 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 29 2 0 0 0 0 27 31 2 0 0 0 0 28 31 1 0 0 0 0 29 33 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 M END > CHEBI:179168 > Neosilyhermin B > 2 > (2S)-5,7-dihydroxy-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzouran-4-yl]-2,3-dihydrochromen-4-one > C25H22O9 > 466.442 > 466.12638 > 0 > O1C(C(C2=C([C@]3(OC=4C(C(=O)C3)=C(O)C=C(O)C4)[H])C=CC(O)=C12)CO)C5=CC(OC)=C(O)C=C5 > InChI=1S/C25H22O9/c1-32-20-6-11(2-4-15(20)28)24-14(10-26)22-13(3-5-16(29)25(22)34-24)19-9-18(31)23-17(30)7-12(27)8-21(23)33-19/h2-8,14,19,24,26-30H,9-10H2,1H3/t14?,19-,24?/m0/s1 > ODFCTVKAFKIYJI-ICEPTDCXSA-N > LMPK12140417 $$$$