Squamotacin

Properties Image MNX_ID MNXM130899 reference chebi:190795 formula C37H66O7 global charge 0 mol weight 622.928 InChIKey GXZZLWVQYXFTJE-DACSEHCNSA-N InChI InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-11-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30+,31-,32+,33+,34?,35+,36+/m0/s1 SMILES CCCCCCCCCCCC[C@H](O)[C@H]1CC[C@H]([C@H]2CCC([C@H](O)CCCCCCCC[C@@H](O)CC3=C[C@H](C)OC3=O)O2)O1 MNX internals InChI (mnx) InChI=1/C37H66O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-11-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30+,31-,32+,33+,34?,35+,36+/m0/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:14][CH2:17][CH2:20][C@@H:31]([C@H:33]1[CH2:22][CH2:24][C@H:35]([C@H:36]2[CH2:25][CH2:23][CH:34]([C@@H:32]([CH2:21][CH2:18][CH2:15][CH2:12][CH2:11][CH2:13][CH2:16][CH2:19][C@H:30]([CH2:27][C:29]3=[CH:26][C@H:28]([CH3:2])[O:42][C:37]3=[O:41])[OH:38])[OH:40])[O:44]2)[O:43]1)[OH:39]

Parent-child relations graph

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