Sanguiin H11

Properties Image MNX_ID MNXM130479 reference hmdb:HMDB0039260 formula C41H28O27 global charge 0 mol weight 952.648 InChIKey KGFYOSJVKULAKR-UHFFFAOYSA-N InChI InChI=1S/C41H28O27/c42-11-1-7(36(56)57)2-15(22(11)46)64-33-21-20(29(53)30(54)31(33)55)19-8(3-12(43)25(49)28(19)52)37(58)63-6-16-32(66-40(21)61)34-35(41(62)65-16)68-39(60)10-5-14(45)24(48)27(51)18(10)17-9(38(59)67-34)4-13(44)23(47)26(17)50/h1-5,16,32,34-35,41-55,62H,6H2,(H,56,57) SMILES O=C(O)C1=CC(O)=C(O)C(OC2=C(O)C(O)=C(O)C3=C2C(=O)OC2C(COC(=O)C4=C3C(O)=C(O)C(O)=C4)OC(O)C3OC(=O)C4=C(C(O)=C(O)C(O)=C4)C4=C(C=C(O)C(O)=C4O)C(=O)OC32)=C1 MNX internals InChI (mnx) InChI=1/C41H28O27/c42-11-1-7(36(56)57)2-15(22(11)46)64-33-21-20(29(53)30(54)31(33)55)19-8(3-12(43)25(49)28(19)52)37(58)63-6-16-32(66-40(21)61)34-35(41(62)65-16)68-39(60)10-5-14(45)24(48)27(51)18(10)17-9(38(59)67-34)4-13(44)23(47)26(17)50/h1-5,16,32,34-35,41-55,62H,6H2,(H,56,57)/t16?,32?,34?,35?,41? SMILES (mnx) [CH:1]1=[C:7]([C:36](=[O:56])[OH:57])[CH:2]=[C:15]([O:64][C:33]2=[C:31]([OH:55])[C:30]([OH:54])=[C:29]([OH:53])[C:20]3=[C:21]2[C:40](=[O:61])[O:66][CH:32]2[CH:16]([CH2:6][O:63][C:37](=[O:58])[C:8]4=[CH:3][C:12]([OH:43])=[C:25]([OH:49])[C:28]([OH:52])=[C:19]43)[O:65][CH:41]([OH:62])[CH:35]3[CH:34]2[O:67][C:38](=[O:59])[C:9]2=[C:17]([C:18]4=[C:27]([OH:51])[C:24]([OH:48])=[C:14]([OH:45])[CH:5]=[C:10]4[C:39](=[O:60])[O:68]3)[C:26]([OH:50])=[C:23]([OH:47])[C:13]([OH:44])=[CH:4]2)[C:22]([OH:46])=[C:11]1[OH:42]

Parent-child relations graph

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