Asticolorin B

Properties Image MNX_ID MNXM119483 reference chebi:169237 formula C33H28O7 global charge 0 mol weight 536.58 InChIKey QPGYUCLUVQROTF-AYBPZWEFSA-N InChI InChI=1S/C33H28O7/c1-13-7-18(34)26-20(9-13)38-22-11-23-24(16(4)25(22)26)17-6-15(3)12-32(5)28-27-19(35)8-14(2)10-21(27)39-29(28)31(36)33(37,40-23)30(17)32/h6-11,17,30,34-35,37H,12H2,1-5H3/t17-,30+,32+,33-/m0/s1 SMILES CC1=CC2=C(C(O)=C1)C1=C(C)C3=C(C=C1O2)O[C@]1(O)C(=O)C2=C(C4=C(C=C(C)C=C4O)O2)[C@@]2(C)CC(C)=C[C@@H]3[C@H]21 MNX internals InChI (mnx) InChI=1/C33H28O7/c1-13-7-18(34)26-20(9-13)38-22-11-23-24(16(4)25(22)26)17-6-15(3)12-32(5)28-27-19(35)8-14(2)10-21(27)39-29(28)31(36)33(37,40-23)30(17)32/h6-11,17,30,34-35,37H,12H2,1-5H3/t17-,30+,32+,33-/m0/s1 SMILES (mnx) [CH3:1][C:13]1=[CH:7][C:18]([OH:34])=[C:26]2[C:20](=[CH:9]1)[O:38][C:22]1=[C:25]2[C:16]([CH3:4])=[C:24]2[C@@H:17]3[CH:6]=[C:15]([CH3:3])[CH2:12][C@:32]4([CH3:5])[C:28]5=[C:29]([C:31](=[O:36])[C@:33]([OH:37])([C@H:30]34)[O:40][C:23]2=[CH:11]1)[O:39][C:21]1=[CH:10][C:14]([CH3:2])=[CH:8][C:19]([OH:35])=[C:27]15

Parent-child relations graph

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