Yucalexin B20

Properties Image MNX_ID MNXM145462 reference hmdb:HMDB0036712 formula C20H30O3 global charge 0 mol weight 318.457 InChIKey RFHATUKAQMWSEN-UHFFFAOYSA-N InChI InChI=1S/C20H30O3/c1-17(2)13-5-6-20-8-7-18(3,11-20)15(22)9-14(20)19(13,4)10-12(21)16(17)23/h7-8,13-16,22-23H,5-6,9-11H2,1-4H3 SMILES CC12C=CC3(CCC4C(C)(C)C(O)C(=O)CC4(C)C3CC1O)C2 MNX internals InChI (mnx) InChI=1/C20H30O3/c1-17(2)13-5-6-20-8-7-18(3,11-20)15(22)9-14(20)19(13,4)10-12(21)16(17)23/h7-8,13-16,22-23H,5-6,9-11H2,1-4H3/t13?,14?,15?,16?,18?,19?,20? SMILES (mnx) [CH3:1][C:17]1([CH3:2])[CH:13]2[CH2:5][CH2:6][C:20]34[CH:8]=[CH:7][C:18]([CH3:3])([CH2:11]3)[CH:15]([OH:22])[CH2:9][CH:14]4[C:19]2([CH3:4])[CH2:10][C:12](=[O:21])[CH:16]1[OH:23]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0