neoabietadiene-diol

Properties Image MNX_ID MNXM12440 reference metacycM:CPD-8710 formula C20H32O2 global charge 0 mol weight 304.474 InChIKey MZCCLBQMNVIBAW-RMGPQRKISA-N InChI InChI=1S/C20H32O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,16-18,21-22H,5-11H2,1-4H3/t16-,17?,19+,20+/m0/s1 SMILES CC(C)=C1C=C2CCC3[C@](C)(C(O)O)CCC[C@]3(C)[C@H]2CC1 MNX internals InChI (mnx) InChI=1/C20H32O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,16-18,21-22H,5-11H2,1-4H3/t16-,17?,19+,20+/m0/s1 SMILES (mnx) [CH3:1][C:13]([CH3:2])=[C:14]1[CH2:6][CH2:8][C@H:16]2[C:15](=[CH:12]1)[CH2:7][CH2:9][CH:17]1[C@:19]2([CH3:3])[CH2:10][CH2:5][CH2:11][C@@:20]1([CH3:4])[CH:18]([OH:21])[OH:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0