input word = C00054393

Metabolite InformationStructural formula
Name 7-Acetoxy-6-hydroxylimonin.
Formula C28H34O10
Mw 530.21519731
CAS RN 208333-73-7
C_ID C00054393
InChIKey LFAMVZIOUNWBKU-RGPJWHKHSA-N
InChICode InChI=1S/C28H34O10/c1-13(29)35-21-18(31)19-24(2,3)37-16-10-17(30)34-12-27(16,19)15-6-8-25(4)20(14-7-9-33-11-14)36-23(32)22-28(25,38-22)26(15,21)5/h7,9,11,15-16,18-22,31H,6,8,10,12H2,1-5H3/t15?,16-,18?,19-,20-,21?,22+,25-,26-,27-,28+/m0/s1
SMILES O=C1O[C@](C2=COC=C2)([H])[C@@](CCC3[C@@]4(C)C(OC(C)=O)C(O)[C@]5([H])[C@]3(COC6=O)[C@@](C6)([H])OC5(C)C)(C)[C@@]74[C@]1([H])O7
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeRuta graveolens Ref.
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