input word = C00006727

Metabolite InformationStructural formula
Name Petunidin 3-rutinoside
Formula C28H33O16
Mw 625.17686001
CAS RN 39824-84-5
C_ID C00006727 ,
InChIKey IWTWNQZWPPSSQB-QTTPWYKINA-O
InChICode InChI=1S/C28H32O16/c1-9-19(32)22(35)24(37)27(41-9)40-8-18-21(34)23(36)25(38)28(44-18)43-17-7-12-13(30)5-11(29)6-15(12)42-26(17)10-3-14(31)20(33)16(4-10)39-2/h3-7,9,18-19,21-25,27-28,32,34-38H,8H2,1-2H3,(H3-,29,30,31,33)/p+1/t9-,18-,19+,21-,22+,23-,24-,25-,27-,28-/m1/s1
SMILES COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O)[C@H](O)C3O)[C@@H](O)C(O)C2O)cc(O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeBerberis buxifolia Ref.
PlantaeBerberidaceaeBerberis darwinii Ref.
PlantaeConvallariaceaeLiriope platyphylla Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus alba Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus alternifolia Ref.
PlantaeIridaceaeCrocus chrysanthus Ref.
PlantaeMoraceaeMorus sp. Ref.
PlantaeMoraceaeMorus spp. Ref.
PlantaeMusaceaeMusa acuminata Ref.
PlantaePoaceaeTriticum aestivum Ref.
PlantaeSolanaceaePetunia exserta Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
zoom in



OrganismBerberis buxifolia
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Pomilio,Phytochem.,12,(1973),218

Jain,Indian J.Chem.,13,(1975),20