input word = C00056863

Metabolite InformationStructural formula
Name Nomilinic acid 4-O-beta-D-glucoside
Formula C34H46O15
Mw 694.2836708
CAS RN 113301-65-8
C_ID C00056863
InChIKey CPBAAJVLXNRPFA-WZKMWRJFSA-N
InChICode InChI=1S/C34H46O15/c1-15(36)45-21(12-22(38)39)32(5)18-7-9-31(4)26(16-8-10-44-14-16)47-28(43)27-34(31,48-27)33(18,6)20(37)11-19(32)30(2,3)49-29-25(42)24(41)23(40)17(13-35)46-29/h8,10,14,17-19,21,23-27,29,35,40-42H,7,9,11-13H2,1-6H3,(H,38,39)/t17-,18-,19+,21?,23-,24+,25-,26+,27-,29+,31+,32-,33+,34-/m1/s1
SMILES O=C1O[C@](C2=COC=C2)([H])[C@@]3(C)[C@@]4([C@@](C(C[C@@H](C(C)(C)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@]6(C)C(OC(C)=O)CC(O)=O)=O)(C)[C@]6([H])CC3)[C@]1([H])O4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus limon Ref.
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