input word = C00048923

Metabolite InformationStructural formula
Name Xylogranatin Q
(-)-Xylogranatin Q
Formula C27H30O9
Mw 498.18898256
CAS RN 1033090-49-1
C_ID C00048923 ,
InChIKey RLJCXBUXDWCLJW-HVZTYLECNA-N
InChICode InChI=1S/C27H30O9/c1-13-20-22(25(31)32-5)36-24(26(20,2)3)15-10-17(34-21(13)15)16-11-19(30)35-23(14-7-9-33-12-14)27(16,4)8-6-18(28)29/h7,9-13,20,22-24H,6,8H2,1-5H3,(H,28,29)/t13-,20+,22+,23+,24+,27-/m1/s1
SMILES c12c(oc(c1)C1=CC(=O)O[C@H]([C@@]1(CCC(=O)O)C)c1cocc1)[C@@H]([C@H]1[C@H](O[C@@H]2C1(C)C)C(=O)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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