Marvin 01071316042D 54 61 0 0 0 0 999 V2000 -4.1863 -4.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9066 -4.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9117 -5.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4747 -4.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4763 -5.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1953 -5.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1969 -6.8228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7590 -5.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7623 -6.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4781 -7.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4797 -8.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7661 -8.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0495 -8.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0515 -7.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7584 -4.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6188 -4.3361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1956 -8.4724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3335 -8.4707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3368 -6.8235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6212 -7.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6224 -8.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0925 -8.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8081 -8.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8044 -7.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0889 -6.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0932 -9.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5243 -8.4714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5174 -6.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2384 -8.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9518 -8.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9423 -6.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 -7.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6636 -7.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6638 -8.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3755 -8.4660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -6.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0911 -7.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0876 -8.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7990 -8.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5144 -8.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5140 -7.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8019 -6.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9372 -5.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2288 -6.8160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7964 -9.2931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8019 -5.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5170 -5.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2310 -5.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9456 -5.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9460 -4.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2258 -4.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5142 -4.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2229 -3.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6606 -5.9966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11 12 2 0 0 0 0 22 26 1 0 0 0 0 2 3 1 0 0 0 0 23 27 1 0 0 0 0 12 13 1 0 0 0 0 24 28 1 0 0 0 0 3 6 2 0 0 0 0 27 29 1 0 0 0 0 13 14 2 0 0 0 0 29 30 2 0 0 0 0 30 34 1 0 0 0 0 14 9 1 0 0 0 0 33 31 1 0 0 0 0 1 2 2 0 0 0 0 31 32 2 0 0 0 0 32 29 1 0 0 0 0 33 34 2 0 0 0 0 4 15 1 0 0 0 0 5 8 1 0 0 0 0 2 16 1 0 0 0 0 6 7 1 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 35 38 1 0 0 0 0 37 36 1 0 0 0 0 11 17 1 0 0 0 0 7 10 1 0 0 0 0 37 38 2 0 0 0 0 13 18 1 0 0 0 0 38 39 1 0 0 0 0 9 8 1 0 0 0 0 39 40 2 0 0 0 0 14 19 1 0 0 0 0 40 41 1 0 0 0 0 5 4 2 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 19 20 1 0 0 0 0 31 43 1 0 0 0 0 4 1 1 0 0 0 0 41 44 1 0 0 0 0 20 21 2 0 0 0 0 39 45 1 0 0 0 0 9 10 2 0 0 0 0 42 46 1 0 0 0 0 21 22 1 0 0 0 0 46 47 1 0 0 0 0 5 6 1 0 0 0 0 47 48 2 0 0 0 0 22 23 2 0 0 0 0 48 49 1 0 0 0 0 10 11 1 0 0 0 0 49 50 2 0 0 0 0 23 24 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 47 1 0 0 0 0 24 25 2 0 0 0 0 51 53 1 0 0 0 0 25 20 1 0 0 0 0 49 54 1 0 0 0 0 M END > CHEBI:65769 > dieckol > A phlorotannin isolated from a brown alga Ecklonia cava which exhibits antioxidant, hepatoprotective and anticoagulant activities. > 3 > 4-[4-[[6-(3,5-dihydroxyphenoxy)-4,7,9-trihydroxydibenzo[b,e][1,4]dioxin-2-yl]oxy]-3,5-dihydroxyphenoxy]-dibenzo[b,e][1,4]dioxin-1,3,6,8-tetrol > 4-(4-{[6-(3,5-dihydroxyphenoxy)-4,7,9-trihydroxyoxanthren-2-yl]oxy}-3,5-dihydroxyphenoxy)oxanthrene-1,3,6,8-tetrol > C36H22O18 > 742.54910 > 742.08061 > 0 > Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(Oc5c(O)cc(Oc6c(O)cc(O)c7Oc8cc(O)cc(O)c8Oc67)cc5O)cc(O)c4Oc23)c1 > InChI=1S/C36H22O18/c37-12-1-13(38)3-15(2-12)49-31-22(44)10-25(47)34-35(31)54-30-21(43)8-17(9-27(30)52-34)48-28-19(41)6-16(7-20(28)42)50-32-23(45)11-24(46)33-36(32)53-29-18(40)4-14(39)5-26(29)51-33/h1-11,37-47H > DRZQFGYIIYNNEC-UHFFFAOYSA-N > 5714171 > Dieckol > 19201199; 19896528; 20600532; 22112542; 22227338; 22504843; 23054486 $$$$