Mangiferonic acid

Properties Image MNX_ID MNXM127677 reference chebi:172009 formula C30H46O3 global charge 0 mol weight 454.695 InChIKey MZPNVEOVZSHYMZ-NTXGJNAHSA-N InChI InChI=1S/C30H46O3/c1-19(8-7-9-20(2)25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h9,19,21-23H,7-8,10-18H2,1-6H3,(H,32,33)/b20-9+/t19-,21-,22+,23+,27-,28+,29-,30+/m1/s1 SMILES C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O MNX internals InChI (mnx) InChI=1/C30H46O3/c1-19(8-7-9-20(2)25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h9,19,21-23H,7-8,10-18H2,1-6H3,(H,32,33)/b20-9+/t19-,21-,22+,23+,27-,28+,29-,30+/m1/s1 SMILES (mnx) [CH3:1][C@H:19]([CH2:8][CH2:7]/[CH:9]=[C:20](\[CH3:2])[C:25](=[O:32])[OH:33])[C@H:21]1[CH2:12][CH2:14][C@@:28]2([CH3:6])[C@@H:23]3[CH2:11][CH2:10][C@H:22]4[C:26]([CH3:3])([CH3:4])[C:24](=[O:31])[CH2:13][CH2:15][C@@:29]45[CH2:18][C@@:30]35[CH2:17][CH2:16][C@:27]12[CH3:5]

Parent-child relations graph

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