8beta-hydroxyfusicocca-1,10(14)-diene-16-al

Properties Image MNX_ID MNXM147886 reference metacycM:CPD-16837 formula C20H30O2 global charge 0 mol weight 302.458 InChIKey RXBOBOBBUFBTEQ-HTZGKGDFSA-N InChI InChI=1S/C20H30O2/c1-12(2)15-7-8-20(4)10-17-14(11-21)5-6-16(17)13(3)19(22)9-18(15)20/h10-14,16,19,22H,5-9H2,1-4H3/b17-10-/t13-,14?,16+,19?,20-/m1/s1 SMILES CC(C)C1=C2CC(O)[C@H](C)[C@@H]3CCC(C=O)/C3=C/[C@@]2(C)CC1 MNX internals InChI (mnx) InChI=1/C20H30O2/c1-12(2)15-7-8-20(4)10-17-14(11-21)5-6-16(17)13(3)19(22)9-18(15)20/h10-14,16,19,22H,5-9H2,1-4H3/b17-10-/t13-,14?,16+,19?,20-/m1/s1 SMILES (mnx) [CH3:1][CH:12]([CH3:2])[C:15]1=[C:18]2[CH2:9][CH:19]([OH:22])[C@H:13]([CH3:3])[C@@H:16]3[CH2:6][CH2:5][CH:14]([CH:11]=[O:21])/[C:17]3=[CH:10]/[C@@:20]2([CH3:4])[CH2:8][CH2:7]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0