Merulin A, (rel)-

Properties Image MNX_ID MNXM106556 reference chebi:69047 formula C14H22O4 global charge 0 mol weight 254.326 InChIKey QYJVCFQEMCWLHS-QOBDMFJFSA-N InChI InChI=1S/C14H22O4/c1-12(2)6-5-11(16)13(3)14(12)7-4-9(15)10(8-14)17-18-13/h9-10,15H,4-8H2,1-3H3/t9-,10+,13-,14+/m1/s1 SMILES CC1(C)CCC(=O)[C@@]2(C)OO[C@H]3C[C@@]12CC[C@H]3O MNX internals InChI (mnx) InChI=1/C14H22O4/c1-12(2)6-5-11(16)13(3)14(12)7-4-9(15)10(8-14)17-18-13/h9-10,15H,4-8H2,1-3H3/t9-,10+,13-,14+/m1/s1 SMILES (mnx) [CH3:1][C:12]1([CH3:2])[CH2:6][CH2:5][C:11](=[O:16])[C@:13]2([CH3:3])[C@:14]13[CH2:7][CH2:4][C@@H:9]([OH:15])[C@H:10]([CH2:8]3)[O:17][O:18]2

Parent-child relations graph

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