input word = C00013725

Metabolite InformationStructural formula
Name 6-Hydroxytricetin 6,7,3',5'-tetramethyl eter 5-robinobioside
Formula C31H38O17
Mw 682.21089979
CAS RN
C_ID C00013725 ,
InChIKey OGSQJZZYZNAPHL-LZCLUUMANA-N
InChICode InChI=1S/C31H38O17/c1-11-21(33)24(36)26(38)30(45-11)44-10-19-23(35)25(37)27(39)31(47-19)48-29-20-13(32)8-14(46-15(20)9-18(42-4)28(29)43-5)12-6-16(40-2)22(34)17(7-12)41-3/h6-9,11,19,21,23-27,30-31,33-39H,10H2,1-5H3/t11-,19+,21-,23-,24-,25-,26-,27?,30+,31-/m0/s1
SMILES COc1cc(-c2cc(=O)c3c(O[C@@H]4OC(CO[C@@H]5OC(C)[C@H](O)C(O)[C@@H]5O)[C@H](O)[C@H](O)C4O)c(OC)c(OC)cc3o2)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe vera Ref.
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