aurofusarin

Properties Image MNX_ID MNXM164572 reference chebi:177751 formula C30H18O12 global charge 0 mol weight 570.462 InChIKey VSWWTKVILIZDGX-UHFFFAOYSA-N InChI InChI=1S/C30H18O12/c1-9-5-13(31)19-15(41-9)7-11-17(25(19)35)27(37)21(29(39-3)23(11)33)22-28(38)18-12(24(34)30(22)40-4)8-16-20(26(18)36)14(32)6-10(2)42-16/h5-8,35-36H,1-4H3 SMILES COC1=C(C2=C(OC)C(=O)C3=CC4=C(C(=O)C=C(C)O4)C(O)=C3C2=O)C(=O)C2=C(O)C3=C(C=C2C1=O)OC(C)=CC3=O MNX internals InChI (mnx) InChI=1/C30H18O12/c1-9-5-13(31)19-15(41-9)7-11-17(25(19)35)27(37)21(29(39-3)23(11)33)22-28(38)18-12(24(34)30(22)40-4)8-16-20(26(18)36)14(32)6-10(2)42-16/h5-8,35-36H,1-4H3 SMILES (mnx) [CH3:1][C:9]1=[CH:5][C:13](=[O:31])[C:19]2=[C:15]([CH:7]=[C:11]3[C:17](=[C:25]2[OH:35])[C:27](=[O:37])[C:21]([C:22]2=[C:30]([O:40][CH3:4])[C:24](=[O:34])[C:12]4=[CH:8][C:16]5=[C:20]([C:14](=[O:32])[CH:6]=[C:10]([CH3:2])[O:42]5)[C:26]([OH:36])=[C:18]4[C:28]2=[O:38])=[C:29]([O:39][CH3:3])[C:23]3=[O:33])[O:41]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0