Marvin 02181310302D 45 50 0 0 0 0 999 V2000 0.1450 -4.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1354 -3.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8544 -4.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8372 -2.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5593 -3.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5852 -2.8396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5646 -4.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2694 -2.8031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9748 -5.1949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5615 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5651 -5.9125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7983 -5.1925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2636 -5.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5048 -6.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2135 -4.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -6.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9726 -6.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6743 -5.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9158 -5.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4978 -5.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0378 -4.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7918 -6.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2165 -5.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4511 -3.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7967 -3.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9757 -3.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0409 -3.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7409 -5.9104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4511 -5.1908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2051 -3.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4561 -2.3352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1995 -7.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0372 -4.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7119 -7.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1001 -8.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6616 -8.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8365 -8.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4504 -8.0556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8889 -7.3533 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0477 -9.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 -9.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9225 -8.1393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 -10.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6092 -10.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3467 -10.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14 16 2 0 0 0 0 12 15 1 6 0 0 0 16 13 1 0 0 0 0 17 11 1 0 0 0 0 18 13 2 0 0 0 0 19 14 1 0 0 0 0 20 18 1 0 0 0 0 21 15 2 0 0 0 0 22 23 1 0 0 0 0 23 12 1 0 0 0 0 24 21 1 0 0 0 0 25 15 1 0 0 0 0 26 10 2 0 0 0 0 27 30 1 0 0 0 0 28 19 1 0 0 0 0 29 21 1 0 0 0 0 30 25 2 0 0 0 0 31 27 1 0 0 0 0 32 22 1 0 0 0 0 22 17 2 0 0 0 0 20 19 2 0 0 0 0 27 24 2 0 0 0 0 10 1 1 0 0 0 0 7 3 1 0 0 0 0 18 33 1 0 0 0 0 8 5 1 0 0 0 0 4 5 1 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 7 2 0 0 0 0 6 2 1 0 0 0 0 9 10 1 1 0 0 0 11 9 1 0 0 0 0 12 9 1 0 0 0 0 11 13 1 6 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 37 36 2 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 40 36 1 0 0 0 0 41 37 1 0 0 0 0 42 35 2 0 0 0 0 43 44 1 0 0 0 0 44 40 2 0 0 0 0 45 43 1 0 0 0 0 37 38 1 0 0 0 0 43 41 2 0 0 0 0 39 14 1 6 0 0 0 M END > CHEBI:65985 > guangsangon N > A member of the class of polyphenols consisting of a methylcyclohexene ring attached to a 2,4-dihydroxyphenyl, 2,4-dihydroxybenzoyl and trihydroxyflavanone moieties at positions 5'', 4'' and 3'' respectively (the 2S,3''R,4''R,5''S stereoisomer). Regarded biogenetically as a Diels-Alder adduct, it is isolated from the stem barks of Morus macroura and exhibits antioxidant activity. > 3 > (2S)-2-{5-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl}-7-hydroxy-2,3-dihydro-4H-chromen-4-one > C35H30O10 > 610.60670 > 610.18390 > 0 > CC1=C[C@H]([C@@H]([C@H](C1)c1ccc(O)cc1O)C(=O)c1ccc(O)cc1O)c1cc([C@@H]2CC(=O)c3ccc(O)cc3O2)c(O)cc1O > InChI=1S/C35H30O10/c1-16-8-24(20-5-2-17(36)10-27(20)39)34(35(44)22-7-4-18(37)11-28(22)40)25(9-16)23-13-26(30(42)14-29(23)41)33-15-31(43)21-6-3-19(38)12-32(21)45-33/h2-7,9-14,24-25,33-34,36-42H,8,15H2,1H3/t24-,25+,33+,34-/m1/s1 > MCJGDQGGKNEZHE-VVSMDZRYSA-N > 9891037 > 15467233 $$$$