protoaphin aglucone

Properties Image MNX_ID MNXM4793 reference chebi:77643 formula C30H27O11 global charge -1 mol weight 563.535 InChIKey KLZOEWZFKUESNU-UYFDZFGUSA-M InChI InChI=1S/C30H28O11/c1-8-17-23(26(35)10(3)40-8)20(13-5-12(31)6-14(32)19(13)28(17)37)21-15(33)7-16(34)22-24(21)30(39)25-18(29(22)38)9(2)41-11(4)27(25)36/h5-11,26-27,31-37H,1-4H3/p-1/t8-,9-,10-,11-,26-,27-/m1/s1 SMILES C[C@H]1O[C@H](C)[C@@H](O)C2=C(C3=C([O-])C=C(O)C4=C3C(=O)C3=C(C4=O)[C@@H](C)O[C@H](C)[C@H]3O)C3=CC(O)=CC(O)=C3C(O)=C21 MNX internals InChI (mnx) InChI=1/C30H28O11/c1-8-17-23(26(35)10(3)40-8)20(13-5-12(31)6-14(32)19(13)28(17)37)21-15(33)7-16(34)22-24(21)30(39)25-18(29(22)38)9(2)41-11(4)27(25)36/h5-11,26-27,31-37H,1-4H3/t8-,9-,10-,11-,26-,27-/m1/s1 SMILES (mnx) [CH3:1][C@@H:8]1[C:17]2=[C:28]([OH:37])[C:19]3=[C:13]([CH:5]=[C:12]([OH:31])[CH:6]=[C:14]3[OH:32])[C:20]([C:21]3=[C:24]4[C:22](=[C:16]([OH:34])[CH:7]=[C:15]3[OH:33])[C:29](=[O:38])[C:18]3=[C:25]([C@H:27]([OH:36])[C@@H:11]([CH3:4])[O:41][C@@H:9]3[CH3:2])[C:30]4=[O:39])=[C:23]2[C@H:26]([OH:35])[C@@H:10]([CH3:3])[O:40]1

Parent-child relations graph

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