input word = C00006648

Metabolite InformationStructural formula
Name Pelargonidin 3-rutinoside-5-glucoside
Formula C33H41O19
Mw 741.22420413
CAS RN 62058-43-9
C_ID C00006648 ,
InChIKey YTMOEUVNNYCFEO-MMKVXARMNA-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(48-30(18)12-2-4-13(35)5-3-12)6-14(36)7-17(15)49-32-28(44)25(41)22(38)19(9-34)51-32/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 c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)c1ccc(cc1)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBromeliaceaeBillbergia buchholtzii Ref.
PlantaeCaryophyllaceaeSilene dioica Ref.
PlantaeFabaceaeTrifolium medium Ref.
PlantaeGesneriaceaeAchimenes spp. Ref.
PlantaeGesneriaceaeDichrotrichum sp. Ref.
PlantaeGesneriaceaeSaintpaulia ionantha Ref.
PlantaeGesneriaceaeStreptocarpus spp. Ref.
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OrganismStreptocarpus spp.
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Harborne,Phytochem.,2,(1963),85

Saito,Phytochem.,22,(1983),1735