rhodomycin D

Properties Image MNX_ID MNXM7743 reference chebi:77073 formula C28H32NO11 global charge 1 mol weight 558.56 InChIKey CADJZGPRUYOSGU-QWWLYEKJSA-O InChI InChI=1S/C28H31NO11/c1-4-28(37)9-14(40-15-8-12(29)22(31)10(2)39-15)17-18(21(28)27(36)38-3)26(35)19-20(25(17)34)24(33)16-11(23(19)32)6-5-7-13(16)30/h5-7,10,12,14-15,21-22,30-31,34-35,37H,4,8-9,29H2,1-3H3/p+1/t10-,12-,14-,15-,21-,22+,28+/m0/s1 SMILES CC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C2=C(C(O)=C3C(=O)C4=CC=CC(O)=C4C(=O)C3=C2O)[C@H]1C(=O)OC MNX internals InChI (mnx) InChI=1/C28H31NO11/c1-4-28(37)9-14(40-15-8-12(29)22(31)10(2)39-15)17-18(21(28)27(36)38-3)26(35)19-20(25(17)34)24(33)16-11(23(19)32)6-5-7-13(16)30/h5-7,10,12,14-15,21-22,30-31,34-35,37H,4,8-9,29H2,1-3H3/t10-,12-,14-,15-,21-,22+,28+/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C@@:28]1([OH:37])[CH2:9][C@H:14]([O:40][C@H:15]2[CH2:8][C@H:12]([NH2:29])[C@H:22]([OH:31])[C@H:10]([CH3:2])[O:39]2)[C:17]2=[C:25]([OH:34])[C:20]3=[C:19]([C:23](=[O:32])[C:11]4=[C:16]([C:13]([OH:30])=[CH:7][CH:5]=[CH:6]4)[C:24]3=[O:33])[C:26]([OH:35])=[C:18]2[C@H:21]1[C:27](=[O:36])[O:38][CH3:3]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0