input word = C00014846

Metabolite InformationStructural formula
Name Pelargonidin 3-rutinoside-7-glucoside
Formula C33H41O19
Mw 741.22420413
CAS RN 215237-85-7
C_ID C00014846 ,
InChIKey YLDCMQANDYWCRU-TZYHLYMDNA-O
InChICode InChI=1S/C33H40O19/c1-11-21(37)24(40)27(43)31(47-11)46-10-20-23(39)26(42)29(45)33(52-20)50-18-8-15-16(36)6-14(48-32-28(44)25(41)22(38)19(9-34)51-32)7-17(15)49-30(18)12-2-4-13(35)5-3-12/h2-8,11,19-29,31-34,37-45H,9-10H2,1H3,(H-,35,36)/p+1/t11-,19+,20+,21-,22+,23+,24-,25-,26-,27-,28+,29+,31+,32+,33+/m0/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3cc4c(O)cc(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)cc4[o+]c3-c3ccc(O)cc3)C(O)[C@@H](O)[C@@H]2O)[C@@H](O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium hybridum Ref.
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OrganismDelphinium hybridum
ReferenceSaito,Phytochem.,49,(1998),881