Rubrofusarin 6-gentiobioside

Properties Image MNX_ID MNXM130382 reference chebi:191439 formula C27H32O15 global charge 0 mol weight 596.538 InChIKey JIBJMBHKGBDCPN-UHFFFAOYSA-N InChI InChI=1S/C27H32O15/c1-9-3-12(29)18-13(39-9)5-10-4-11(37-2)6-14(17(10)21(18)32)40-27-25(36)23(34)20(31)16(42-27)8-38-26-24(35)22(33)19(30)15(7-28)41-26/h3-6,15-16,19-20,22-28,30-36H,7-8H2,1-2H3 SMILES COC1=CC2=CC3=C(C(=O)C=C(C)O3)C(O)=C2C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)=C1 MNX internals InChI (mnx) InChI=1/C27H32O15/c1-9-3-12(29)18-13(39-9)5-10-4-11(37-2)6-14(17(10)21(18)32)40-27-25(36)23(34)20(31)16(42-27)8-38-26-24(35)22(33)19(30)15(7-28)41-26/h3-6,15-16,19-20,22-28,30-36H,7-8H2,1-2H3/t15?,16?,19?,20?,22?,23?,24?,25?,26?,27? SMILES (mnx) [CH3:1][C:9]1=[CH:3][C:12](=[O:29])[C:18]2=[C:13]([CH:5]=[C:10]3[CH:4]=[C:11]([O:37][CH3:2])[CH:6]=[C:14]([O:40][CH:27]4[CH:25]([OH:36])[CH:23]([OH:34])[CH:20]([OH:31])[CH:16]([CH2:8][O:38][CH:26]5[CH:24]([OH:35])[CH:22]([OH:33])[CH:19]([OH:30])[CH:15]([CH2:7][OH:28])[O:41]5)[O:42]4)[C:17]3=[C:21]2[OH:32])[O:39]1

Parent-child relations graph

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