Marvin 10031316512D 34 37 0 0 1 0 999 V2000 15.8033 -5.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8033 -6.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5178 -5.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0888 -5.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0888 -6.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5178 -6.8108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5178 -4.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2321 -5.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3743 -5.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3743 -6.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0888 -7.6358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2321 -3.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9466 -5.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6598 -5.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6598 -6.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9466 -4.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2321 -3.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6611 -5.5733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9454 -5.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9454 -6.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6598 -7.6358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6611 -3.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2310 -5.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6611 -6.3983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3755 -6.8108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9466 -6.8108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3755 -7.6358 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0900 -6.3983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9466 -7.6358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6611 -8.0483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0900 -8.0483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2321 -8.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6611 -8.8733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5176 -7.6358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 2 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 2 0 0 0 0 7 12 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 15 2 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 16 2 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 24 18 1 1 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 6 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 27 31 1 1 0 0 0 29 30 1 0 0 0 0 29 32 1 1 0 0 0 30 33 1 6 0 0 0 32 34 1 0 0 0 0 M END > CHEBI:75816 > myricetin 3'-O-beta-D-glucopyranoside > A myricetin O-glucoside that is myricetin with a β-D-glucosyl residue attached at position 3'. > 3 > cannabiscitrin > 2,3-dihydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl beta-D-glucopyranoside > C21H20O13 > 480.37570 > 480.09039 > 0 > OC[C@H]1O[C@@H](Oc2cc(cc(O)c2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H](O)[C@@H](O)[C@@H]1O > InChI=1S/C21H20O13/c22-5-12-15(27)17(29)19(31)21(34-12)33-11-2-6(1-9(25)14(11)26)20-18(30)16(28)13-8(24)3-7(23)4-10(13)32-20/h1-4,12,15,17,19,21-27,29-31H,5H2/t12-,15-,17+,19-,21-/m1/s1 > ZJYAVUPWMNHHEU-GFOOFYSOSA-N > 69547 $$$$