Mrv0541 02241209022D 65 71 0 0 0 0 999 V2000 -0.0007 -4.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7143 -5.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4293 -4.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4293 -3.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7143 -3.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 -3.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7143 -5.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 -3.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8581 -3.9188 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -3.5731 -3.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5731 -2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8581 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 -2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2867 -3.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0017 -3.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0017 -2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2867 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4293 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2867 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7167 -3.9188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4293 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7143 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7143 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4293 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8581 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8581 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4293 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7143 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4293 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1429 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1429 2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4293 2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7143 2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 2.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4293 3.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5715 2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5715 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2866 2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0016 2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7152 2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7152 3.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 3.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1452 3.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1452 2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 4.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8590 3.9188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0017 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7167 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4304 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4304 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7167 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0017 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2867 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7167 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1454 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1454 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8590 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1452 5.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 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 4 8 1 0 0 0 0 5 6 2 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 19 54 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 30 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 37 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 41 1 0 0 0 0 35 36 1 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 36 39 1 0 0 0 0 37 38 1 0 0 0 0 40 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 46 51 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 48 52 1 0 0 0 0 49 50 1 0 0 0 0 49 53 1 0 0 0 0 50 51 2 0 0 0 0 52 65 1 0 0 0 0 54 55 1 0 0 0 0 54 59 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 63 1 0 0 0 0 57 58 1 0 0 0 0 57 62 1 0 0 0 0 58 59 1 0 0 0 0 58 61 1 0 0 0 0 59 60 1 0 0 0 0 63 64 1 0 0 0 0 M CHG 1 9 1 M END > CHEM027297 > chemdb > COC1=C(O)C=CC(\C=C\C(=O)OC2C(C)OC(OCC3OC(OC4=CC5=C(C=C(O)C=C5OC5OC(CO)C(O)C(O)C5O)[O+]=C4C4=CC=C(O)C=C4)C(O)C(O)C3O)C(O)C2O)=C1 > InChI=1S/C43H48O22/c1-17-39(65-30(48)10-4-18-3-9-23(47)26(11-18)57-2)35(53)38(56)41(59-17)58-16-29-32(50)34(52)37(55)43(64-29)62-27-14-22-24(60-40(27)19-5-7-20(45)8-6-19)12-21(46)13-25(22)61-42-36(54)33(51)31(49)28(15-44)63-42/h3-14,17,28-29,31-39,41-44,49-56H,15-16H2,1-2H3,(H2-,45,46,47,48)/p+1 > DLPFHSHPTWWBRJ-UHFFFAOYSA-O > C43H49O22 > 917.836 > 917.271548252 > 20 > 89.47123040074655 > 0 > 12 > 1 > 0 > 3-[(6-{[(3,4-dihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-6-methyloxan-2-yl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-7-hydroxy-2-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium > 1.74 > 0.13799999999999835 > -3.60 > 1 > 7 > 0 > 8.356557451911792 > 6.659734174409476 > -3.6789575975638327 > 346.81000000000006 > 225.3024 > 14 > 0 > 2.40e-01 g/l > 3-[(6-{[(3,4-dihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-6-methyloxan-2-yl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-7-hydroxy-2-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium > 0 > Pelargonidin 3-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(->4)-a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside] 5-O-b-D-glucopyranoside $$$$