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.
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