ChEBI Marvin 01250714282D 36 39 0 0 1 0 999 V2000 23.9447 -8.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2251 -8.0498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9307 -9.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5125 -8.4654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.2181 -7.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2321 -9.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9412 -6.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5125 -9.2898 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.7999 -8.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5055 -7.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2181 -10.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7999 -9.7020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0978 -8.4654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0978 -9.2898 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.3747 -8.0463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3712 -9.7020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2181 -8.8846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5055 -10.1212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4709 -8.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9586 -7.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6908 -7.2079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.6908 -6.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6873 -8.0428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.6873 -8.8678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1863 -6.4267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4764 -6.9562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.9054 -6.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6198 -5.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4764 -6.1312 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.7620 -5.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1909 -5.7187 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.1909 -4.8937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0488 -5.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3343 -6.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3343 -6.1312 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 29.0488 -6.5437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 17 1 6 0 0 0 3 6 1 0 0 0 0 21 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 1 0 0 0 5 7 1 0 0 0 0 6 11 2 0 0 0 0 6 8 1 0 0 0 0 8 12 1 0 0 0 0 8 18 1 1 0 0 0 9 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 1 0 0 0 13 14 1 0 0 0 0 14 16 1 1 0 0 0 26 21 1 0 0 0 0 21 23 1 0 0 0 0 23 19 1 0 0 0 0 26 20 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 1 0 0 0 23 24 1 6 0 0 0 26 25 1 6 0 0 0 26 29 1 0 0 0 0 29 31 1 0 0 0 0 31 27 1 0 0 0 0 27 28 1 0 0 0 0 28 35 1 0 0 0 0 29 30 1 6 0 0 0 31 32 1 6 0 0 0 35 33 1 0 0 0 0 35 34 1 0 0 0 0 35 36 1 0 0 0 0 M END > CHEBI:16688 > ecdysone > A 6-oxo steroid that is 5β-cholest-7-en-6-one substituted by hydroxy groups at positions 2, 3, 14, 22 and 25 respectively (the 2β, 3β, 22R stereoisomer). It is a steroid prohormone of the major insect moulting hormone 20-hydroxyecdysone. > 3 > CHEBI:4741; CHEBI:14205; CHEBI:23889 > ecdysone; Ecdysone; (22R)-2beta,3beta,14alpha,22,25-pentahydroxy-5beta-cholest-7-en-6-one; (22R)-2beta,3beta,14,22,25-pentahydroxy-5beta-cholest-7-en-6-one > (2beta,3beta,5beta,22R)-2,3,14,22,25-pentahydroxycholest-7-en-6-one > C27H44O6 > 464.63466 > 464.31379 > 0 > [H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@H](O)CCC(C)(C)O > InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1 > UPEZCKBFRMILAV-JMZLNJERSA-N > 3604-87-3 > 2422986 > C00477 > C00003651 > LMST01010210 > Ecdysone > 19342482; 22310011; 22828514; 23017214; 23072462 $$$$