Montecristin

Properties Image MNX_ID MNXM128146 reference chebi:171952 formula C37H66O4 global charge 0 mol weight 574.931 InChIKey ULFROYYCMRNCTL-HAVKIKKTSA-N InChI InChI=1S/C37H66O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-35(38)36(39)31-28-25-22-19-18-20-23-26-29-34-32-33(2)41-37(34)40/h14-15,21,24,32-33,35-36,38-39H,3-13,16-20,22-23,25-31H2,1-2H3/b15-14-,24-21-/t33-,35+,36+/m0/s1 SMILES CCCCCCCCCCCC/C=C\CC/C=C\CC[C@@H](O)[C@H](O)CCCCCCCCCCC1=C[C@H](C)OC1=O MNX internals InChI (mnx) InChI=1/C37H66O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-35(38)36(39)31-28-25-22-19-18-20-23-26-29-34-32-33(2)41-37(34)40/h14-15,21,24,32-33,35-36,38-39H,3-13,16-20,22-23,25-31H2,1-2H3/b15-14-,24-21-/t33-,35+,36+/m0/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]/[CH:14]=[CH:15]\[CH2:16][CH2:17]/[CH:21]=[CH:24]\[CH2:27][CH2:30][C@H:35]([C@@H:36]([CH2:31][CH2:28][CH2:25][CH2:22][CH2:19][CH2:18][CH2:20][CH2:23][CH2:26][CH2:29][C:34]1=[CH:32][C@H:33]([CH3:2])[O:41][C:37]1=[O:40])[OH:39])[OH:38]

Parent-child relations graph

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