input word = C00057294

Metabolite InformationStructural formula
Name Rhamnetin 3-sophoroside
Formula C28H32O17
Mw 640.1639496
CAS RN 259234-17-8
C_ID C00057294
InChIKey CEZKIFXYWPTANH-HGVYTWBRSA-N
InChICode InChI=1S/C28H32O17/c1-40-10-5-13(33)17-14(6-10)41-24(9-2-3-11(31)12(32)4-9)25(20(17)36)44-28-26(22(38)19(35)16(8-30)43-28)45-27-23(39)21(37)18(34)15(7-29)42-27/h2-6,15-16,18-19,21-23,26-35,37-39H,7-8H2,1H3/t15-,16-,18-,19-,21+,22+,23-,26-,27+,28+/m1/s1
SMILES O[C@@H]([C@@H]([C@H]([C@H](OC(C(C(C(O)=C1)=C2C=C1OC)=O)=C(O2)C3=CC(O)=C(C=C3)O)O4)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)CO)O)[C@H]4CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeNasturtium officinale Ref.
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OrganismNasturtium officinale
ReferenceKuhn, R. et al., Ber., 1944, 77, 211 (synth)