Oxepahyperforin

Properties Image MNX_ID MNXM118647 reference chebi:176026 formula C35H52O5 global charge 0 mol weight 552.796 InChIKey SUFKQAGGNFAGTD-UXLXDXPVSA-N InChI InChI=1S/C35H52O5/c1-21(2)12-14-25-20-34(19-16-23(5)6)29(37)26(15-13-22(3)4)30-35(31(34)38,28(36)24(7)8)33(25,11)18-17-27(40-30)32(9,10)39/h12-13,16,24-25,27,39H,14-15,17-20H2,1-11H3/t25-,27-,33+,34+,35-/m0/s1 SMILES CC(C)=CCC1=C2O[C@H](C(C)(C)O)CC[C@]3(C)[C@@H](CC=C(C)C)C[C@](CC=C(C)C)(C1=O)C(=O)[C@]23C(=O)C(C)C MNX internals InChI (mnx) InChI=1/C35H52O5/c1-21(2)12-14-25-20-34(19-16-23(5)6)29(37)26(15-13-22(3)4)30-35(31(34)38,28(36)24(7)8)33(25,11)18-17-27(40-30)32(9,10)39/h12-13,16,24-25,27,39H,14-15,17-20H2,1-11H3/t25-,27-,33+,34+,35-/m0/s1 SMILES (mnx) [CH3:1][C:21]([CH3:2])=[CH:12][CH2:14][C@H:25]1[CH2:20][C@:34]2([CH2:19][CH:16]=[C:23]([CH3:5])[CH3:6])[C:29](=[O:37])[C:26]([CH2:15][CH:13]=[C:22]([CH3:3])[CH3:4])=[C:30]3[C@@:35]([C:28]([CH:24]([CH3:7])[CH3:8])=[O:36])([C:31]2=[O:38])[C@:33]1([CH3:11])[CH2:18][CH2:17][C@@H:27]([C:32]([CH3:9])([CH3:10])[OH:39])[O:40]3

Parent-child relations graph

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