7-Epizucchini factor A

Properties Image MNX_ID MNXM118533 reference chebi:176291 formula C44H59NO5 global charge 0 mol weight 681.958 InChIKey PRAFKBSUIBLSSV-UHFFFAOYSA-N InChI InChI=1S/C44H59NO5/c1-39(2)33-25-32(46)36-31(42(33,5)19-18-35(39)50-38(48)29-13-15-30(45)16-14-29)17-20-43(6)34-26-40(3,21-22-41(34,4)23-24-44(36,43)7)27-49-37(47)28-11-9-8-10-12-28/h8-16,32-35,46H,17-27,45H2,1-7H3 SMILES CC1(COC(=O)C2=CC=CC=C2)CCC2(C)CCC3(C)C4=C(CCC3(C)C2C1)C1(C)CCC(OC(=O)C2=CC=C(N)C=C2)C(C)(C)C1CC4O MNX internals InChI (mnx) InChI=1/C44H59NO5/c1-39(2)33-25-32(46)36-31(42(33,5)19-18-35(39)50-38(48)29-13-15-30(45)16-14-29)17-20-43(6)34-26-40(3,21-22-41(34,4)23-24-44(36,43)7)27-49-37(47)28-11-9-8-10-12-28/h8-16,32-35,46H,17-27,45H2,1-7H3/t32?,33?,34?,35?,40?,41?,42?,43?,44? SMILES (mnx) [CH3:1][C:39]1([CH3:2])[CH:33]2[CH2:25][CH:32]([OH:46])[C:36]3=[C:31]([CH2:17][CH2:20][C:43]4([CH3:6])[CH:34]5[CH2:26][C:40]([CH3:3])([CH2:27][O:49][C:37]([C:28]6=[CH:11][CH:9]=[CH:8][CH:10]=[CH:12]6)=[O:47])[CH2:21][CH2:22][C:41]5([CH3:4])[CH2:23][CH2:24][C:44]34[CH3:7])[C:42]2([CH3:5])[CH2:19][CH2:18][CH:35]1[O:50][C:38]([C:29]1=[CH:14][CH:16]=[C:30]([NH2:45])[CH:15]=[CH:13]1)=[O:48]

Parent-child relations graph

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