Samarangenin A

Properties Image MNX_ID MNXM130462 reference hmdb:HMDB0039717 formula C37H28O18 global charge 0 mol weight 760.613 InChIKey JENRLNPKDHPCHO-UHFFFAOYSA-N InChI InChI=1S/C37H28O18/c38-12-5-16(40)25-22(6-12)52-35-14-7-21(45)30(48)32(50)36(14)53-23-4-11(3-20(44)29(23)47)37(51)54-24-8-13-15(39)9-17(41)26(27(25)31(35)49)34(13)55-33(24)10-1-18(42)28(46)19(43)2-10/h1-7,9,24,27,31,33,35,38-50H,8H2 SMILES O=C1OC2CC3=C(O)C=C(O)C(=C3OC2C2=CC(O)=C(O)C(O)=C2)C2C3=C(O)C=C(O)C=C3OC(C3=C(OC4=C(O)C(O)=CC1=C4)C(O)=C(O)C(O)=C3)C2O MNX internals InChI (mnx) InChI=1/C37H28O18/c38-12-5-16(40)25-22(6-12)52-35-14-7-21(45)30(48)32(50)36(14)53-23-4-11(3-20(44)29(23)47)37(51)54-24-8-13-15(39)9-17(41)26(27(25)31(35)49)34(13)55-33(24)10-1-18(42)28(46)19(43)2-10/h1-7,9,24,27,31,33,35,38-50H,8H2/t24?,27?,31?,33?,35? SMILES (mnx) [CH:1]1=[C:10]([CH:33]2[CH:24]3[CH2:8][C:13]4=[C:15]([OH:39])[CH:9]=[C:17]([OH:41])[C:26](=[C:34]4[O:55]2)[CH:27]2[C:25]4=[C:16]([OH:40])[CH:5]=[C:12]([OH:38])[CH:6]=[C:22]4[O:52][CH:35]([C:14]4=[CH:7][C:21]([OH:45])=[C:30]([OH:48])[C:32]([OH:50])=[C:36]4[O:53][C:23]4=[CH:4][C:11](=[CH:3][C:20]([OH:44])=[C:29]4[OH:47])[C:37](=[O:51])[O:54]3)[CH:31]2[OH:49])[CH:2]=[C:19]([OH:43])[C:28]([OH:46])=[C:18]1[OH:42]

Parent-child relations graph

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