cis-Reticulatacin-10-one

Properties Image MNX_ID MNXM120617 reference chebi:176214 formula C37H66O6 global charge 0 mol weight 606.929 InChIKey NZGIKHMTWDNXAF-UHFFFAOYSA-N InChI InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-10-14-20-25-33(39)35-27-28-36(43-35)34(40)26-21-16-15-19-24-32(38)23-18-13-11-12-17-22-31-29-30(2)42-37(31)41/h29-30,33-36,39-40H,3-28H2,1-2H3 SMILES CCCCCCCCCCCCC(O)C1CCC(C(O)CCCCCCC(=O)CCCCCCCC2=CC(C)OC2=O)O1 MNX internals InChI (mnx) InChI=1/C37H66O6/c1-3-4-5-6-7-8-9-10-14-20-25-33(39)35-27-28-36(43-35)34(40)26-21-16-15-19-24-32(38)23-18-13-11-12-17-22-31-29-30(2)42-37(31)41/h29-30,33-36,39-40H,3-28H2,1-2H3/t30?,33?,34?,35?,36? SMILES (mnx) [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:14][CH2:20][CH2:25][CH:33]([CH:35]1[CH2:27][CH2:28][CH:36]([CH:34]([CH2:26][CH2:21][CH2:16][CH2:15][CH2:19][CH2:24][C:32]([CH2:23][CH2:18][CH2:13][CH2:11][CH2:12][CH2:17][CH2:22][C:31]2=[CH:29][CH:30]([CH3:2])[O:42][C:37]2=[O:41])=[O:38])[OH:40])[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