Ketcher 03131716162D 1 1.00000 0.00000 0 49 53 0 1 0 999 V2000 8.7706 -5.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9534 -6.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9534 -3.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3584 -4.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0874 -4.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3553 -5.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3553 -7.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9534 -5.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9534 -4.8237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0874 -5.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0874 -6.3238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8194 -4.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8194 -3.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8194 -5.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8194 -6.3238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2213 -5.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2213 -4.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4893 -5.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6232 -5.3237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4893 -6.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6232 -7.3238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2213 -6.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2213 -7.8238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0874 -7.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0874 -8.3238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7706 -4.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6366 -3.5146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2348 -1.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3688 -1.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5027 -1.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6366 -2.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6366 -1.5146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5026 -3.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5026 -4.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3687 -2.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2347 -3.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7706 -3.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9045 -2.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5026 -5.7463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0027 -4.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0027 -4.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5027 -4.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5027 -5.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5026 -5.7463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0027 -6.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5027 -7.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0027 -6.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5026 -7.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0022 -8.3443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14 8 1 0 0 0 14 12 1 0 0 0 14 1 1 0 0 0 8 10 1 0 0 0 8 2 1 0 0 0 12 26 1 0 0 0 12 3 1 0 0 0 4 1 1 0 0 0 10 16 1 0 0 0 10 5 1 0 0 0 2 24 1 0 0 0 16 22 1 0 0 0 16 6 1 0 0 0 22 7 1 0 0 0 6 18 1 0 0 0 7 20 1 0 0 0 26 4 1 0 0 0 3 5 1 0 0 0 24 22 1 0 0 0 18 20 1 0 0 0 8 9 1 1 0 0 10 11 1 6 0 0 12 13 1 1 0 0 14 15 1 6 0 0 16 17 1 1 0 0 26 37 1 0 0 0 18 19 1 6 0 0 20 21 1 6 0 0 22 23 1 6 0 0 24 25 2 0 0 0 26 27 1 6 0 0 37 31 1 0 0 0 31 33 1 0 0 0 33 35 1 0 0 0 35 29 1 0 0 0 29 28 1 0 0 0 29 30 1 0 0 0 31 32 1 1 0 0 33 34 1 1 0 0 35 36 1 6 0 0 37 38 1 6 0 0 39 47 1 0 0 0 39 40 1 0 0 0 47 45 1 0 0 0 45 43 1 0 0 0 43 41 1 0 0 0 41 40 1 0 0 0 40 34 1 6 0 0 41 42 1 6 0 0 43 44 1 1 0 0 45 46 1 6 0 0 47 48 1 1 0 0 48 49 1 0 0 0 M END > CHEBI:133472 > castasterone 23-O-alpha-D-glucoside > A brassinosteroid that is castasterone carrying an α-D-glucosyl residue at position O-23. > 3 > castasterone-23-O-glucoside; castasterone 23-O-glucoside; castasterone 23-O-alpha-glucoside > (2alpha,3alpha,5alpha,22R,23R,24S)-2,3,22-trihydroxy-6-oxoergostan-23-yl alpha-D-glucopyranoside > C34H58O10 > 626.820 > 626.40300 > 0 > C1[C@]2([C@]3([C@@]([C@@]4([C@](C[C@@H]([C@@H](C4)O)O)(C(C3)=O)[H])C)(CC[C@@]2([C@](C1)([C@@H]([C@H]([C@@H]([C@H](C(C)C)C)O[C@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)CO)O)C)[H])C)[H])[H])[H] > InChI=1S/C34H58O10/c1-15(2)16(3)31(44-32-30(42)29(41)28(40)26(14-35)43-32)27(39)17(4)19-7-8-20-18-11-23(36)22-12-24(37)25(38)13-34(22,6)21(18)9-10-33(19,20)5/h15-22,24-32,35,37-42H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22+,24-,25+,26+,27+,28+,29-,30+,31+,32+,33+,34+/m0/s1 > OZXMTRULWNHBRI-JGRCFTTDSA-N > castasterone-23-O-glucoside $$$$