aspergillide A

Properties Image MNX_ID MNXM102866 reference chebi:65450 formula C14H22O4 global charge 0 mol weight 254.326 InChIKey FDJDTDDUDZAAFP-GDHSIMSHSA-N InChI InChI=1S/C14H22O4/c1-10-5-3-2-4-6-11-7-8-12(15)13(18-11)9-14(16)17-10/h4,6,10-13,15H,2-3,5,7-9H2,1H3/b6-4+/t10-,11-,12-,13+/m0/s1 SMILES C[C@H]1CCC/C=C/[C@H]2CC[C@H](O)[C@@H](CC(=O)O1)O2 MNX internals InChI (mnx) InChI=1/C14H22O4/c1-10-5-3-2-4-6-11-7-8-12(15)13(18-11)9-14(16)17-10/h4,6,10-13,15H,2-3,5,7-9H2,1H3/b6-4+/t10-,11-,12-,13+/m0/s1 SMILES (mnx) [CH3:1][C@H:10]1[CH2:5][CH2:3][CH2:2]/[CH:4]=[CH:6]/[C@H:11]2[CH2:7][CH2:8][C@H:12]([OH:15])[C@@H:13]([CH2:9][C:14](=[O:16])[O:17]1)[O:18]2

Parent-child relations graph

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