Mrv0541 11251314102D 50 54 0 0 0 0 999 V2000 16.6458 -3.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6417 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9250 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3500 -3.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2083 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2083 -1.2292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9167 -2.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3458 -2.4875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2042 -2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9250 -0.8125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6292 -3.7208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.6375 -1.2250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0625 -3.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3542 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2083 -2.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6333 -2.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4875 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9167 -3.3083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6417 -2.0458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4917 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7792 -1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9208 -2.4833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9250 -2.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0583 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7833 -2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7750 -2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4875 -2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0625 -2.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7750 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3500 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0708 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9292 -4.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3375 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0625 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3333 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3625 -3.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9250 0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6292 -4.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3542 -0.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4875 -4.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3542 -2.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2000 -3.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5000 -2.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2083 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9292 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0750 -3.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2167 -3.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2083 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0583 1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6167 1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 3 1 0 0 0 0 6 20 1 1 0 0 0 7 2 1 0 0 0 0 8 28 1 1 0 0 0 9 7 1 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 10 1 0 0 0 0 4 13 1 6 0 0 0 14 2 1 0 0 0 0 15 6 1 0 0 0 0 16 8 1 0 0 0 0 17 5 2 0 0 0 0 18 11 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 24 1 0 0 0 0 22 16 1 0 0 0 0 23 15 1 0 0 0 0 24 30 2 0 0 0 0 25 31 1 0 0 0 0 26 27 1 0 0 0 0 27 9 2 0 0 0 0 28 26 1 0 0 0 0 29 17 1 0 0 0 0 30 14 1 0 0 0 0 31 14 2 0 0 0 0 32 3 2 0 0 0 0 33 34 1 0 0 0 0 34 24 1 0 0 0 0 35 33 2 0 0 0 0 36 1 1 0 0 0 0 10 37 1 6 0 0 0 11 38 1 1 0 0 0 12 39 1 1 0 0 0 40 17 1 0 0 0 0 19 41 1 6 0 0 0 18 42 1 6 0 0 0 43 25 1 0 0 0 0 22 44 1 1 0 0 0 23 45 1 1 0 0 0 46 36 1 0 0 0 0 47 45 1 0 0 0 0 48 44 1 0 0 0 0 49 35 1 0 0 0 0 50 35 1 0 0 0 0 5 9 1 0 0 0 0 21 25 2 0 0 0 0 29 26 2 0 0 0 0 18 22 1 0 0 0 0 12 19 1 0 0 0 0 M END > CHEBI:67874 > pedunculosumoside B > A homoflavonoid glycoside that is 5ʼ-prenylophioglonol attached to β-D-glucopyranosyl residues at positions 7 and 4ʼ respectively via glycosidic linkages. It has been isolated from the whole plants of Ophioglossum pedunculosum. > 3 > 5'-(3-methyl-2-buten-1-yl)ophioglonol 7-O-beta-D-glucopyranosyl-4'-O-beta-D-glucopyranoside > 4-[7-(beta-D-glucopyranosyloxy)-5-hydroxy-3-(hydroxymethyl)-4-oxo-4H-chromen-2-yl]-2-hydroxy-6-(3-methylbut-2-en-1-yl)phenyl beta-D-glucopyranoside > C33H40O17 > 708.66050 > 708.22655 > 0 > CC(C)=CCc1cc(cc(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)-c1oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c(=O)c1CO > InChI=1S/C33H40O17/c1-12(2)3-4-13-5-14(6-18(38)31(13)50-33-29(45)27(43)25(41)21(11-36)49-33)30-16(9-34)23(39)22-17(37)7-15(8-19(22)47-30)46-32-28(44)26(42)24(40)20(10-35)48-32/h3,5-8,20-21,24-29,32-38,40-45H,4,9-11H2,1-2H3/t20-,21-,24-,25-,26+,27+,28-,29-,32-,33+/m1/s1 > HTSBCGPVSFENKR-LMYGLBCJSA-N > 21523327 > 21401115 $$$$