Mrv0541 05061312392D 39 43 0 0 0 0 999 V2000 -7.6409 0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7534 0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2284 0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9284 0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6409 -0.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5159 -0.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2284 -1.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6909 -0.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4034 -1.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2784 0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9909 -0.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6909 0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2135 2.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4659 -0.6205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9284 -1.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6409 -2.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2784 -1.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9909 -2.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 0.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1659 -0.6205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4034 0.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 2.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 2.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5159 0.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2784 1.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 4 2 0 0 0 0 10 1 1 0 0 0 0 11 4 1 0 0 0 0 11 6 2 0 0 0 0 12 6 1 0 0 0 0 12 7 1 0 0 0 0 13 8 2 0 0 0 0 13 11 1 0 0 0 0 14 8 1 0 0 0 0 14 12 2 0 0 0 0 15 9 1 0 0 0 0 16 7 1 0 0 0 0 17 5 1 0 0 0 0 18 10 1 0 0 0 0 19 15 1 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 2 1 0 0 0 0 26 3 1 0 0 0 0 26 16 1 0 0 0 0 27 17 2 0 0 0 0 28 18 1 0 0 0 0 29 19 1 0 0 0 0 30 20 1 0 0 0 0 31 21 1 0 0 0 0 32 22 1 0 0 0 0 33 23 1 0 0 0 0 34 9 1 0 0 0 0 34 24 1 0 0 0 0 35 10 1 0 0 0 0 35 24 1 0 0 0 0 36 14 1 0 0 0 0 36 16 1 0 0 0 0 37 13 1 0 0 0 0 37 17 1 0 0 0 0 38 15 1 0 0 0 0 38 25 1 0 0 0 0 39 25 1 0 0 0 0 39 26 1 0 0 0 0 M END > HMDB0041413 > hmdb > CC1OC(OCC2OC(OC(C)(C)C3CC4=C(O3)C=C3OC(=O)C=CC3=C4)C(O)C(O)C2O)C(O)C(O)C1O > InChI=1S/C26H34O13/c1-10-18(28)20(30)22(32)24(35-10)34-9-15-19(29)21(31)23(33)25(38-15)39-26(2,3)16-7-12-6-11-4-5-17(27)37-13(11)8-14(12)36-16/h4-6,8,10,15-16,18-25,28-33H,7,9H2,1-3H3 > YRSYZKMFCFPXRA-UHFFFAOYSA-N > C26H34O13 > 554.5404 > 554.199941174 > 12 > 55.58941992070769 > 0 > 6 > 0 > 0 > 2-{2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]propan-2-yl}-2H,3H,7H-furo[3,2-g]chromen-7-one > -0.14 > -0.7623677176666663 > -2.31 > 1 > 5 > 0 > 12.444090883036878 > 11.91715998233573 > -3.6121823516836606 > 193.82999999999996 > 129.62379999999996 > 6 > 0 > 2.72e+00 g/l > 2-{2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]propan-2-yl}-2H,3H-furo[3,2-g]chromen-7-one > 0 > HMDB0041413 > Marmesin rutinoside > Marmesin rutinoside $$$$