verruculogen

Properties Image MNX_ID MNXM88821 reference chebi:72765 formula C27H33N3O7 global charge 0 mol weight 511.575 InChIKey LRXYHMMJJCTUMY-GWXUGYLUSA-N InChI InChI=1S/C27H33N3O7/c1-14(2)11-20-29-18-12-15(35-5)8-9-16(18)21-22(29)19(13-26(3,4)37-36-20)30-24(32)17-7-6-10-28(17)25(33)27(30,34)23(21)31/h8-9,11-12,17,19-20,23,31,34H,6-7,10,13H2,1-5H3/t17-,19-,20+,23-,27+/m0/s1 SMILES COC1=CC2=C(C=C1)C1=C3[C@H](CC(C)(C)OO[C@H](C=C(C)C)N23)N2C(=O)[C@@H]3CCCN3C(=O)[C@]2(O)[C@H]1O MNX internals InChI (mnx) InChI=1/C27H33N3O7/c1-14(2)11-20-29-18-12-15(35-5)8-9-16(18)21-22(29)19(13-26(3,4)37-36-20)30-24(32)17-7-6-10-28(17)25(33)27(30,34)23(21)31/h8-9,11-12,17,19-20,23,31,34H,6-7,10,13H2,1-5H3/t17-,19-,20+,23-,27+/m0/s1 SMILES (mnx) [CH3:1][C:14]([CH3:2])=[CH:11][C@@H:20]1[N:29]2[C:18]3=[CH:12][C:15]([O:35][CH3:5])=[CH:8][CH:9]=[C:16]3[C:21]3=[C:22]2[C@H:19]([CH2:13][C:26]([CH3:3])([CH3:4])[O:37][O:36]1)[N:30]1[C:24](=[O:32])[C@@H:17]2[CH2:7][CH2:6][CH2:10][N:28]2[C:25](=[O:33])[C@:27]1([OH:34])[C@H:23]3[OH:31]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 1