Mrv0541 03131513102D 43 47 0 0 1 0 999 V2000 3.9262 -3.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9262 -3.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 -4.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3856 -3.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3856 -3.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 -2.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0943 -4.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8032 -3.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8032 -3.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0943 -2.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5120 -2.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2208 -3.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9297 -2.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9297 -1.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2208 -1.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5120 -1.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6385 -1.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2173 -2.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 -5.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0943 -5.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5120 -4.3464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2208 -4.7635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2208 -5.5974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9715 -6.0144 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6802 -5.5974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6802 -4.7635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9715 -4.3466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9715 -6.8483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5120 -6.0144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3891 -6.0144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3891 -4.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0979 -4.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8067 -4.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5155 -4.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2243 -4.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8067 -3.5127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9619 -4.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9684 -5.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6968 -6.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4189 -5.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4125 -4.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6840 -4.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1542 -5.9955 0.0000 O 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 11 16 1 0 0 0 0 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 7 20 2 0 0 0 0 8 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 22 27 1 0 0 0 0 24 28 1 6 0 0 0 23 29 1 1 0 0 0 25 30 1 1 0 0 0 26 31 1 6 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 33 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 37 42 1 0 0 0 0 40 43 1 0 0 0 0 22 21 1 6 0 0 0 M END > CHEBI:80944 > tribuloside > A glycosyloxyflavone that is kaempferol attached to a 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranosyl residue at position 3 via a glycosidic linkage. > 3 > kaempferol-3-O-beta-D-(6''-(E)-p-coumaroyl)-glucopyranoside > 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4E-1-benzopyran-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside > C30H26O13 > 594.51960 > 594.13734 > 0 > O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)cc2)O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@H]1O > InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1 > DVGGLGXQSFURLP-VWMSDXGPSA-N > 3642768 > C17140 > C00034908 > 17504571; 24443810; 25348942 $$$$