input word = C00057295

Metabolite InformationStructural formula
Name Rhamnazin 3-sophoroside
Formula C29H34O17
Mw 654.17959966
CAS RN 259234-18-9
C_ID C00057295
InChIKey WPIJGCCJUFCJAE-ZNHLPFEVSA-N
InChICode InChI=1S/C29H34O17/c1-40-11-6-13(33)18-15(7-11)42-25(10-3-4-12(32)14(5-10)41-2)26(21(18)36)45-29-27(23(38)20(35)17(9-31)44-29)46-28-24(39)22(37)19(34)16(8-30)43-28/h3-7,16-17,19-20,22-24,27-35,37-39H,8-9H2,1-2H3/t16-,17-,19-,20-,22+,23+,24-,27-,28+,29+/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(OC)=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
ReferencePerkin, W.H. et al., JCS, 1902, 81, 469 (struct)