Syzyginin B

Properties Image MNX_ID MNXM130996 reference hmdb:HMDB0030237 formula C33H24O21 global charge 0 mol weight 756.534 InChIKey MAXKGPWNOZDAPO-UHFFFAOYSA-N InChI InChI=1S/C33H24O21/c34-10-1-7(2-11(35)19(10)39)30(45)54-29-24(44)33(48)51-16-6-49-31(46)9-4-14(38)25-28(50-15-5-13(37)21(41)23(43)26(15)52-25)18(9)17-8(32(47)53-27(16)29)3-12(36)20(40)22(17)42/h1-5,16,24,27,29,33-44,48H,6H2 SMILES O=C(OC1C(O)C(O)OC2COC(=O)C3=C(C4=C(OC5=C(C=C(O)C(O)=C5O)O4)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC21)C1=CC(O)=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C33H24O21/c34-10-1-7(2-11(35)19(10)39)30(45)54-29-24(44)33(48)51-16-6-49-31(46)9-4-14(38)25-28(50-15-5-13(37)21(41)23(43)26(15)52-25)18(9)17-8(32(47)53-27(16)29)3-12(36)20(40)22(17)42/h1-5,16,24,27,29,33-44,48H,6H2/t16?,24?,27?,29?,33? SMILES (mnx) [CH:1]1=[C:7]([C:30](=[O:45])[O:54][CH:29]2[CH:24]([OH:44])[CH:33]([OH:48])[O:51][CH:16]3[CH2:6][O:49][C:31](=[O:46])[C:9]4=[C:18]([C:17]5=[C:22]([OH:42])[C:20]([OH:40])=[C:12]([OH:36])[CH:3]=[C:8]5[C:32](=[O:47])[O:53][CH:27]32)[C:28]2=[C:25]([C:14]([OH:38])=[CH:4]4)[O:52][C:26]3=[C:15]([CH:5]=[C:13]([OH:37])[C:21]([OH:41])=[C:23]3[OH:43])[O:50]2)[CH:2]=[C:11]([OH:35])[C:19]([OH:39])=[C:10]1[OH:34]

Parent-child relations graph

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