Anigorootin

Properties Image MNX_ID MNXM119194 reference hmdb:HMDB0033185 formula C38H22O6 global charge 0 mol weight 574.588 InChIKey YOXXPZVESHZYHK-UHFFFAOYSA-N InChI InChI=1S/C38H22O6/c39-35-29-23(19-7-3-1-4-8-19)15-11-21-13-17-25-31(27(21)29)33-34-32-26(43-37(33,35)41)18-14-22-12-16-24(20-9-5-2-6-10-20)30(28(22)32)36(40)38(34,42)44-25/h1-18,33-34,41-42H SMILES O=C1C2=C(C3=CC=CC=C3)C=CC3=C2C2=C(C=C3)OC3(O)C(=O)C4=C(C5=CC=CC=C5)C=CC5=CC=C6OC1(O)C2C3C6=C54 MNX internals InChI (mnx) InChI=1/C38H22O6/c39-35-29-23(19-7-3-1-4-8-19)15-11-21-13-17-25-31(27(21)29)33-34-32-26(43-37(33,35)41)18-14-22-12-16-24(20-9-5-2-6-10-20)30(28(22)32)36(40)38(34,42)44-25/h1-18,33-34,41-42H/t33?,34?,37?,38? SMILES (mnx) [CH:1]1=[CH:3][CH:7]=[C:19]([C:23]2=[C:29]3[C:27]4=[C:31]5[C:25](=[CH:17][CH:13]=[C:21]4[CH:11]=[CH:15]2)[O:44][C:38]2([OH:42])[CH:34]4[C:32]6=[C:26]([CH:18]=[CH:14][C:22]7=[C:28]6[C:30](=[C:24]([C:20]6=[CH:9][CH:5]=[CH:2][CH:6]=[CH:10]6)[CH:16]=[CH:12]7)[C:36]2=[O:40])[O:43][C:37]([OH:41])([CH:33]54)[C:35]3=[O:39])[CH:8]=[CH:4]1

Parent-child relations graph

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