HMDB0037091 RDKit 3D Delphinidin 3-lathyroside 5-(6-acetylglucoside) 97102 0 0 0 0 0 0 0 0999 V2000 8.5449 0.0573 -0.4128 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1148 0.3767 0.9532 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7415 0.0538 1.9955 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9247 1.0929 1.1502 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4898 1.4161 2.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2033 2.1888 2.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2570 1.4403 1.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9665 1.7597 0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 0.8237 -0.0409 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1842 -0.2178 -0.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4199 -0.4814 -1.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4960 -1.5615 -2.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7127 -1.8421 -2.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3969 -2.3318 -2.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1773 -2.0734 -2.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1423 -2.8191 -2.3729 O 0 0 0 0 0 3 0 0 0 0 0 0 -0.0710 -2.6139 -1.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1424 -3.5119 -2.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4239 -3.5146 -1.7628 C 0 0 0 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2 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 2 0 17 27 2 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 31 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 27 49 1 0 49 50 2 0 8 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 55 6 1 0 50 10 1 0 50 15 1 0 26 18 1 0 38 29 1 0 47 40 1 0 1 57 1 0 1 58 1 0 1 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 8 63 1 0 11 64 1 0 13 65 1 0 14 66 1 0 19 67 1 0 21 68 1 0 23 69 1 0 25 70 1 0 26 71 1 0 29 72 1 0 31 73 1 0 32 74 1 0 32 75 1 0 33 76 1 0 34 77 1 0 35 78 1 0 36 79 1 0 37 80 1 0 38 81 1 0 40 82 1 0 42 83 1 0 42 84 1 0 43 85 1 0 44 86 1 0 45 87 1 0 46 88 1 0 47 89 1 0 48 90 1 0 49 91 1 0 51 92 1 0 52 93 1 0 53 94 1 0 54 95 1 0 55 96 1 0 56 97 1 0 M CHG 1 16 1 M END