Erinacine C

Properties Image MNX_ID MNXM125360 reference hmdb:HMDB0040389 formula C25H38O6 global charge 0 mol weight 434.573 InChIKey DMPGFSQMXITJPT-UHFFFAOYSA-N InChI InChI=1S/C25H38O6/c1-13(2)15-7-8-24(3)9-10-25(4)16(18(15)24)6-5-14(11-26)20-22(25)31-23-21(30-20)19(28)17(27)12-29-23/h5,13,16-17,19-23,26-28H,6-12H2,1-4H3 SMILES CC(C)C1=C2C3CC=C(CO)C4OC5C(OCC(O)C5O)OC4C3(C)CCC2(C)CC1 MNX internals InChI (mnx) InChI=1/C25H38O6/c1-13(2)15-7-8-24(3)9-10-25(4)16(18(15)24)6-5-14(11-26)20-22(25)31-23-21(30-20)19(28)17(27)12-29-23/h5,13,16-17,19-23,26-28H,6-12H2,1-4H3/t16?,17?,19?,20?,21?,22?,23?,24?,25? SMILES (mnx) [CH3:1][CH:13]([CH3:2])[C:15]1=[C:18]2[CH:16]3[CH2:6][CH:5]=[C:14]([CH2:11][OH:26])[CH:20]4[CH:22]([C:25]3([CH3:4])[CH2:10][CH2:9][C:24]2([CH3:3])[CH2:8][CH2:7]1)[O:31][CH:23]1[CH:21]([CH:19]([OH:28])[CH:17]([OH:27])[CH2:12][O:29]1)[O:30]4

Parent-child relations graph

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