xanthoaphin

Properties Image MNX_ID MNXM4881 reference chebi:77712 formula C30H25O10 global charge -1 mol weight 545.52 InChIKey HNUPXDLGAHSVEQ-YSPTYUJLSA-M InChI InChI=1S/C30H26O10/c1-7-13-21-19-17-15(25(13)33)11(31)5-30(36)24(17)20-18-16(26(34)14-8(2)38-10(4)28(40-30)22(14)20)12(32)6-29(35,23(18)19)39-27(21)9(3)37-7/h7-10,27-28,33-36H,5-6H2,1-4H3/p-1/t7-,8-,9-,10-,27-,28-,29+,30+/m1/s1 SMILES C[C@H]1O[C@H](C)[C@H]2O[C@@]3(O)CC(=O)C4=C(O)C5=C6C7=C4C3=C3C4=C7[C@](O)(CC(=O)C4=C([O-])C1=C32)O[C@@H]6[C@@H](C)O[C@@H]5C MNX internals InChI (mnx) InChI=1/C30H26O10/c1-7-13-21-19-17-15(25(13)33)11(31)5-30(36)24(17)20-18-16(26(34)14-8(2)38-10(4)28(40-30)22(14)20)12(32)6-29(35,23(18)19)39-27(21)9(3)37-7/h7-10,27-28,33-36H,5-6H2,1-4H3/t7-,8-,9-,10-,27-,28-,29+,30+/m1/s1 SMILES (mnx) [CH3:1][C@@H:7]1[C:13]2=[C:21]3[C:19]4=[C:23]5[C:18]6=[C:20]7[C:22]8=[C:14]([C@@H:8]([CH3:2])[O:38][C@H:10]([CH3:4])[C@H:28]8[O:40][C@@:30]8([OH:36])[CH2:5][C:11](=[O:31])[C:15](=[C:25]2[OH:33])[C:17]4=[C:24]78)[C:26]([OH:34])=[C:16]6[C:12](=[O:32])[CH2:6][C@:29]5([OH:35])[O:39][C@@H:27]3[C@@H:9]([CH3:3])[O:37]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0