input word = C00005219

Metabolite InformationStructural formula
Name Clitorin
Kaempferol 3-(2G-rhamnosylrutinoside)
Formula C33H40O19
Mw 740.2163791
CAS RN 55804-74-5
C_ID C00005219 ,
InChIKey WRXVPTMENPZUIZ-DAFPDVOFNA-N
InChICode InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11+,17+,19+,20+,21-,23+,24-,25-,26-,27+,30-,31-,32+,33+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)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[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAdoxaceaeViburnum dilatum Ref.
PlantaeApocynaceaeCerbera manghas Ref.
PlantaeCaricaceaeCarica papaya Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeAlangium platanifolium trilobum Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeAlangium premnifolium Ref.
PlantaeFabaceaeCassia fistula Ref.
PlantaeFabaceaeClitoria ternata Ref.
PlantaeFabaceaeClitoria ternatea Ref.
PlantaeFabaceaeGlycine max Ref.
PlantaeLabiataeSalvia farinacea Ref.
PlantaeMyrsinaceaeLysimachia christinae Ref.
PlantaeMyrsinaceaeLysimachia mauritiana Ref.
PlantaeSolanaceaeNicotiana spp. Ref.
PlantaeSolanaceaeSolanum spp. Ref.
PlantaeTyphaceaeTypha angustifolia Ref.
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