Periandrin V

Properties Image MNX_ID MNXM129167 reference chebi:180644 formula C41H62O14 global charge 0 mol weight 778.933 InChIKey OHGFKHHCPIGSKE-UHFFFAOYSA-N InChI InChI=1S/C41H62O14/c1-36(2)23-9-11-40(6)24(8-7-20-21-17-38(4,35(50)51)14-13-37(21,3)15-16-39(20,40)5)41(23,19-42)12-10-25(36)53-34-31(28(46)27(45)30(54-34)32(48)49)55-33-29(47)26(44)22(43)18-52-33/h17,19-20,22-31,33-34,43-47H,7-16,18H2,1-6H3,(H,48,49)(H,50,51) SMILES CC1(C(=O)O)C=C2C3CCC4C5(C=O)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC1 MNX internals InChI (mnx) InChI=1/C41H62O14/c1-36(2)23-9-11-40(6)24(8-7-20-21-17-38(4,35(50)51)14-13-37(21,3)15-16-39(20,40)5)41(23,19-42)12-10-25(36)53-34-31(28(46)27(45)30(54-34)32(48)49)55-33-29(47)26(44)22(43)18-52-33/h17,19-20,22-31,33-34,43-47H,7-16,18H2,1-6H3,(H,48,49)(H,50,51)/t20?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,33?,34?,37?,38?,39?,40?,41? SMILES (mnx) [CH3:1][C:36]1([CH3:2])[CH:23]2[CH2:9][CH2:11][C:40]3([CH3:6])[CH:24]([CH2:8][CH2:7][CH:20]4[C:21]5=[CH:17][C:38]([CH3:4])([C:35](=[O:50])[OH:51])[CH2:14][CH2:13][C:37]5([CH3:3])[CH2:15][CH2:16][C:39]43[CH3:5])[C:41]2([CH:19]=[O:42])[CH2:12][CH2:10][CH:25]1[O:53][CH:34]1[CH:31]([O:55][CH:33]2[CH:29]([OH:47])[CH:26]([OH:44])[CH:22]([OH:43])[CH2:18][O:52]2)[CH:28]([OH:46])[CH:27]([OH:45])[CH:30]([C:32](=[O:48])[OH:49])[O:54]1

Parent-child relations graph

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