input word = C00005694

Metabolite InformationStructural formula
Name Gossypetin 3-glucuronide-8-glucoside
Formula C27H28O19
Mw 656.12247872
CAS RN 113541-00-7
C_ID C00005694 ,
InChIKey OQGHLKIINJRWAG-TYXACITNNA-N
InChICode InChI=1S/C27H28O19/c28-5-11-13(33)15(35)18(38)26(42-11)44-21-10(32)4-9(31)12-14(34)23(20(43-22(12)21)6-1-2-7(29)8(30)3-6)45-27-19(39)16(36)17(37)24(46-27)25(40)41/h1-4,11,13,15-19,24,26-33,35-39H,5H2,(H,40,41)/t11-,13-,15+,16+,17+,18-,19-,24+,26+,27-/m1/s1
SMILES O=C(O)C1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c(O)cc(O)c3c2=O)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePapaveraceaeRoemeria hybrida Ref.
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