Amlaic acid

Properties Image MNX_ID MNXM119122 reference hmdb:HMDB0036349 formula C27H24O19 global charge 0 mol weight 652.47 InChIKey KFDXRACNJCIDON-UHFFFAOYSA-N InChI InChI=1S/C27H24O19/c28-5-12-20-19(36)22(27(42-12)46-24(39)6-1-9(29)16(33)10(30)2-6)45-25(40)8-3-11(31)17(34)18(35)14(8)15-7(23(37)38)4-13(32)43-21(15)26(41)44-20/h1-3,7,12,15,19-22,27-31,33-36H,4-5H2,(H,37,38) SMILES O=C1CC(C(=O)O)C2C3=C(C=C(O)C(O)=C3O)C(=O)OC3C(OC(=O)C4=CC(O)=C(O)C(O)=C4)OC(CO)C(OC(=O)C2O1)C3O MNX internals InChI (mnx) InChI=1/C27H24O19/c28-5-12-20-19(36)22(27(42-12)46-24(39)6-1-9(29)16(33)10(30)2-6)45-25(40)8-3-11(31)17(34)18(35)14(8)15-7(23(37)38)4-13(32)43-21(15)26(41)44-20/h1-3,7,12,15,19-22,27-31,33-36H,4-5H2,(H,37,38)/t7?,12?,15?,19?,20?,21?,22?,27? SMILES (mnx) [CH:1]1=[C:6]([C:24](=[O:39])[O:46][CH:27]2[CH:22]3[CH:19]([OH:36])[CH:20]([CH:12]([CH2:5][OH:28])[O:42]2)[O:44][C:26](=[O:41])[CH:21]2[CH:15]([CH:7]([C:23](=[O:37])[OH:38])[CH2:4][C:13](=[O:32])[O:43]2)[C:14]2=[C:18]([OH:35])[C:17]([OH:34])=[C:11]([OH:31])[CH:3]=[C:8]2[C:25](=[O:40])[O:45]3)[CH:2]=[C:10]([OH:30])[C:16]([OH:33])=[C:9]1[OH:29]

Parent-child relations graph

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