Petunidin 3-rhamnoside 5-glucoside

Properties Image MNX_ID MNXM129194 reference chebi:192012 formula C28H33O16 global charge 1 mol weight 625.556 InChIKey FMIONHNHIFPJRO-PYHPJUQZSA-O InChI InChI=1S/C28H32O16/c1-9-19(32)22(35)24(37)27(40-9)43-17-7-12-14(41-26(17)10-3-13(31)20(33)16(4-10)39-2)5-11(30)6-15(12)42-28-25(38)23(36)21(34)18(8-29)44-28/h3-7,9,18-19,21-25,27-29,32,34-38H,8H2,1-2H3,(H2-,30,31,33)/p+1/t9-,18+,19-,21+,22+,23-,24+,25+,27-,28+/m0/s1 SMILES COC1=C(O)C(O)=CC(C2=[O+]C3=C(C=C2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C3)=C1 MNX internals InChI (mnx) InChI=1/C28H32O16/c1-9-19(32)22(35)24(37)27(40-9)43-17-7-12-14(41-26(17)10-3-13(31)20(33)16(4-10)39-2)5-11(30)6-15(12)42-28-25(38)23(36)21(34)18(8-29)44-28/h3-7,9,18-19,21-25,27-29,32,34-38H,8H2,1-2H3,(H2-,30,31,33)/t9-,18+,19-,21+,22+,23-,24+,25+,27-,28+/m0/s1 SMILES (mnx) [CH3:1][C@H:9]1[C@H:19]([OH:32])[C@@H:22]([OH:35])[C@@H:24]([OH:37])[C@H:27]([O:43][C:17]2=[CH:7][C:12]3=[C:14]([CH:5]=[C:11]([OH:30])[CH:6]=[C:15]3[O:42][C@H:28]3[C@H:25]([OH:38])[C@@H:23]([OH:36])[C@H:21]([OH:34])[C@@H:18]([CH2:8][OH:29])[O:44]3)[O+:41]=[C:26]2[C:10]2=[CH:3][C:13]([OH:31])=[C:20]([O-:33])[C:16]([O:39][CH3:2])=[CH:4]2)[O:40]1

Parent-child relations graph

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