Marvin 10071309372D 53 59 0 0 0 0 999 V2000 12.4625 -3.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2625 -4.0333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0501 -3.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7875 -2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3792 -3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2040 -3.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6750 -8.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8538 -8.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5583 -6.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5583 -7.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2704 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9824 -6.2708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9834 -7.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6945 -7.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4090 -7.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6924 -5.8551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4076 -6.2736 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4155 -4.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6932 -5.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1307 -5.0377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1226 -5.8672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9089 -6.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6875 -6.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4000 -5.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1167 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1250 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9750 -5.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8427 -5.8604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8440 -7.5086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9221 -4.7892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4014 -5.4685 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2246 -5.3936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0959 -3.9612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5739 -4.6411 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3683 -4.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5949 -3.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8083 -6.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9792 -5.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8792 -3.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7458 -4.7875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9805 -4.6131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8403 -5.0354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5550 -4.6259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5546 -3.8045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8408 -3.3902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1257 -3.8035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1244 -4.6311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4116 -5.0465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8415 -2.5652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4114 -3.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2694 -3.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9835 -3.8058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18 25 1 1 0 0 0 9 8 1 0 0 0 0 22 26 1 6 0 0 0 5 4 1 0 0 0 0 21 27 1 1 0 0 0 6 5 1 0 0 0 0 13 28 1 6 0 0 0 10 29 1 0 0 0 0 13 17 1 0 0 0 0 11 30 2 0 0 0 0 31 32 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 18 1 0 0 0 0 31 2 1 0 0 0 0 32 33 1 0 0 0 0 33 35 1 0 0 0 0 34 2 1 0 0 0 0 34 35 1 0 0 0 0 17 18 1 0 0 0 0 10 11 1 0 0 0 0 2 1 1 0 0 0 0 2 3 1 6 0 0 0 35 36 1 0 0 0 0 36 5 1 0 0 0 0 5 37 1 0 0 0 0 37 34 1 0 0 0 0 8 7 1 0 0 0 0 32 38 1 1 0 0 0 17 20 1 0 0 0 0 35 39 1 1 0 0 0 18 22 1 0 0 0 0 34 40 1 1 0 0 0 21 19 1 0 0 0 0 31 41 1 6 0 0 0 19 20 1 0 0 0 0 20 42 2 0 0 0 0 43 29 1 1 0 0 0 43 44 1 0 0 0 0 21 22 1 0 0 0 0 10 12 2 0 0 0 0 11 8 1 0 0 0 0 8 14 1 0 0 0 0 22 23 1 0 0 0 0 43 48 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 23 32 1 0 0 0 0 48 49 1 6 0 0 0 31 21 1 0 0 0 0 46 50 1 6 0 0 0 13 12 1 0 0 0 0 47 51 1 1 0 0 0 17 24 1 1 0 0 0 45 52 1 1 0 0 0 13 14 1 0 0 0 0 52 53 1 0 0 0 0 M END > CHEBI:68908 > (16alpha,20R,22S,23S)-16,23:22,25-diepoxy-2,20,22,23-tetrahydroxycucurbita-1,5-diene-3,11-dione 2-O-beta-D-glucopyranoside > A triterpenoid saponin of the class of cucurbitane glycosides isolated from the roots of Machilus yaoshansis. It has been shown to exhibit inhibitory activity against protein tyrosine phosphatase. > 3 > (4aR,4bR,6aR,6bR,7R,7aS,10aS,11aR,12aS,12bS)-7,7a,10a-trihydroxy-1,1,4b,6a,7,9,9,12a-octamethyl-2,5-dioxo-1,2,4a,4b,5,6,6a,6b,7,7a,9,10,10a,11a,12,12a,12b,13-octadecahydrofuro[3,2-b]naphtho[2',1':4,5]indeno[1,2-e]pyran-3-yl beta-D-glucopyranoside > C36H52O13 > 692.79030 > 692.34079 > 0 > CC1(C)C[C@]2(O)O[C@@H]3C[C@@]4(C)[C@@H]5CC=C6[C@@H](C=C(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(=O)C6(C)C)[C@]5(C)C(=O)C[C@]4(C)[C@H]3[C@@](C)(O)[C@]2(O)O1 > InChI=1S/C36H52O13/c1-29(2)15-35(44)36(45,49-29)34(8,43)26-19(48-35)12-31(5)21-10-9-16-17(33(21,7)22(38)13-32(26,31)6)11-18(27(42)30(16,3)4)46-28-25(41)24(40)23(39)20(14-37)47-28/h9,11,17,19-21,23-26,28,37,39-41,43-45H,10,12-15H2,1-8H3/t17-,19-,20-,21+,23-,24+,25-,26+,28-,31+,32-,33+,34-,35+,36+/m1/s1 > ANFGZMJFIDODOI-JOWNWPMHSA-N > 22123603 > 22044245 $$$$