Phytolaccoside A

Properties Image MNX_ID MNXM129673 reference chebi:176272 formula C36H56O10 global charge 0 mol weight 648.834 InChIKey NSIBODJHRJTEFG-UHFFFAOYSA-N InChI InChI=1S/C36H56O10/c1-31(30(43)44-6)13-15-36(29(41)42)16-14-34(4)20(21(36)17-31)7-8-24-32(2)11-10-25(46-28-27(40)26(39)22(38)18-45-28)33(3,19-37)23(32)9-12-35(24,34)5/h7,21-28,37-40H,8-19H2,1-6H3,(H,41,42) SMILES COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1 MNX internals InChI (mnx) InChI=1/C36H56O10/c1-31(30(43)44-6)13-15-36(29(41)42)16-14-34(4)20(21(36)17-31)7-8-24-32(2)11-10-25(46-28-27(40)26(39)22(38)18-45-28)33(3,19-37)23(32)9-12-35(24,34)5/h7,21-28,37-40H,8-19H2,1-6H3,(H,41,42)/t21?,22?,23?,24?,25?,26?,27?,28?,31?,32?,33?,34?,35?,36? SMILES (mnx) [CH3:1][C:31]1([C:30](=[O:43])[O:44][CH3:6])[CH2:13][CH2:15][C:36]2([C:29](=[O:41])[OH:42])[CH2:16][CH2:14][C:34]3([CH3:4])[C:20](=[CH:7][CH2:8][CH:24]4[C:32]5([CH3:2])[CH2:11][CH2:10][CH:25]([O:46][CH:28]6[CH:27]([OH:40])[CH:26]([OH:39])[CH:22]([OH:38])[CH2:18][O:45]6)[C:33]([CH3:3])([CH2:19][OH:37])[CH:23]5[CH2:9][CH2:12][C:35]43[CH3:5])[CH:21]2[CH2:17]1

Parent-child relations graph

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