100972830 CDK 1019211606 37 40 0 0 0 0 0 0 0 0999 V2000 2.0920 -2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8736 -3.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3025 -3.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 0.3747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5413 -0.4503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1124 -0.4503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3616 -0.8684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3219 0.6262 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8268 -0.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8268 0.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3549 -1.7277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1124 0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3219 -0.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8033 -0.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5969 -0.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0992 -2.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5782 1.4103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5832 -2.1812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5413 1.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8401 -1.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3680 -0.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8149 -0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 -1.7337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3855 1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0273 2.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5864 -3.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6418 2.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4491 2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7053 3.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 1.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5126 3.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1544 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8073 2.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6155 -1.1476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -0.0997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0147 0.7349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3577 -2.4290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23 1 1 1 0 0 0 2 26 1 0 0 0 0 3 26 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 19 1 1 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 5 34 1 6 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 35 1 6 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 7 21 1 1 0 0 0 8 14 1 0 0 0 0 8 17 1 0 0 0 0 8 36 1 6 0 0 0 9 20 2 0 0 0 0 10 12 1 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 11 37 1 6 0 0 0 13 14 1 0 0 0 0 15 22 1 0 0 0 0 16 20 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 6 0 0 0 18 23 1 0 0 0 0 18 26 1 6 0 0 0 22 23 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 30 33 1 0 0 0 0 M END > CHEBI:182951 > 4alpha-Carboxy-stigmasta-7,24(24(1))-dien-3beta-ol > 2 > (3S,4S,5S,9R,10S,13R,14R,17R)-3-hydroxy-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid > C30H48O3 > 456.711 > 456.36035 > 0 > O[C@@H]1[C@H]([C@]2([C@@]([C@@]3(C([C@]4([C@@]([C@](CC4)([C@@H](CC/C(/C(C)C)=C/C)C)[H])(CC3)C)[H])=CC2)[H])(CC1)C)[H])C(O)=O > InChI=1S/C30H48O3/c1-7-20(18(2)3)9-8-19(4)22-12-13-23-21-10-11-25-27(28(32)33)26(31)15-17-30(25,6)24(21)14-16-29(22,23)5/h7,10,18-19,22-27,31H,8-9,11-17H2,1-6H3,(H,32,33)/b20-7-/t19-,22-,23+,24+,25+,26+,27+,29-,30-/m1/s1 > PLFNGFVQAIAQFS-HHZIVNGQSA-N > C22120 $$$$