Cascaroside F

Properties Image MNX_ID MNXM120312 reference hmdb:HMDB0041268 formula C27H32O14 global charge 0 mol weight 580.539 InChIKey VICGNLNFFZAFLT-UHFFFAOYSA-N InChI InChI=1S/C27H32O14/c1-8-2-10-16(26-24(37)22(35)19(32)14(6-28)39-26)11-4-9(30)5-13(18(11)21(34)17(10)12(31)3-8)40-27-25(38)23(36)20(33)15(7-29)41-27/h2-5,14-16,19-20,22-33,35-38H,6-7H2,1H3 SMILES CC1=CC2=C(C(=O)C3=C(C=C(O)C=C3OC3OC(CO)C(O)C(O)C3O)C2C2OC(CO)C(O)C(O)C2O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C27H32O14/c1-8-2-10-16(26-24(37)22(35)19(32)14(6-28)39-26)11-4-9(30)5-13(18(11)21(34)17(10)12(31)3-8)40-27-25(38)23(36)20(33)15(7-29)41-27/h2-5,14-16,19-20,22-33,35-38H,6-7H2,1H3/t14?,15?,16?,19?,20?,22?,23?,24?,25?,26?,27? SMILES (mnx) [CH3:1][C:8]1=[CH:2][C:10]2=[C:17]([C:12]([OH:31])=[CH:3]1)[C:21](=[O:34])[C:18]1=[C:11]([CH:4]=[C:9]([OH:30])[CH:5]=[C:13]1[O:40][CH:27]1[CH:25]([OH:38])[CH:23]([OH:36])[CH:20]([OH:33])[CH:15]([CH2:7][OH:29])[O:41]1)[CH:16]2[CH:26]1[CH:24]([OH:37])[CH:22]([OH:35])[CH:19]([OH:32])[CH:14]([CH2:6][OH:28])[O:39]1

Parent-child relations graph

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