aignopsanoic acid B

Properties Image MNX_ID MNXM102406 reference chebi:69139 formula C15H24O4 global charge 0 mol weight 268.353 InChIKey IAEQYZWSXCQPFB-CMZIHQLMSA-N InChI InChI=1S/C15H24O4/c1-9-5-4-7-15(3)12(17)10(11(16)13(18)19)6-8-14(9,15)2/h9-11,16H,4-8H2,1-3H3,(H,18,19)/t9-,10-,11?,14+,15+/m0/s1 SMILES C[C@H]1CCC[C@]2(C)C(=O)[C@H](C(O)C(=O)O)CC[C@]12C MNX internals InChI (mnx) InChI=1/C15H24O4/c1-9-5-4-7-15(3)12(17)10(11(16)13(18)19)6-8-14(9,15)2/h9-11,16H,4-8H2,1-3H3,(H,18,19)/t9-,10-,11?,14+,15+/m0/s1 SMILES (mnx) [CH3:1][C@H:9]1[CH2:5][CH2:4][CH2:7][C@:15]2([CH3:3])[C:12](=[O:17])[C@H:10]([CH:11]([C:13](=[O:18])[OH:19])[OH:16])[CH2:6][CH2:8][C@:14]12[CH3:2]

Parent-child relations graph

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