input word = C00055279

Metabolite InformationStructural formula
Name 2''-O-p-Coumaroylorientin
Formula C30H26O13
Mw 594.13734092
CAS RN 1229437-75-5
C_ID C00055279
InChIKey XIKYOEXOYRWIOU-HJBGGDBQSA-N
InChICode InChI=1S/C30H26O13/c31-12-22-26(39)27(40)30(43-23(38)8-3-13-1-5-15(32)6-2-13)29(42-22)25-19(36)10-18(35)24-20(37)11-21(41-28(24)25)14-4-7-16(33)17(34)9-14/h1-11,22,26-27,29-36,39-40H,12H2/b8-3+/t22-,26-,27+,29+,30-/m1/s1
SMILES OC1=CC=C(/C=C/C(O[C@H]2[C@H](C3=C(O)C=C(O)C4=C3OC(C5=CC=C(O)C(O)=C5)=CC4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)=O)C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeTrigonella foenum-graecum Ref.
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