input word = C00048917

Metabolite InformationStructural formula
Name Xylogranatin K
(-)-Xylogranatin K
Formula C28H34O9
Mw 514.22028269
CAS RN 1033090-43-5
C_ID C00048917 ,
InChIKey YBVQEMYZAAIYCJ-VIPDGENONA-N
InChICode InChI=1S/C28H34O9/c1-15-18(12-22(31)33-5)27(2,3)26(34-6)17-11-20(36-24(15)17)19-13-23(32)37-25(16-8-10-35-14-16)28(19,4)9-7-21(29)30/h8,10-11,13-15,18,25-26H,7,9,12H2,1-6H3,(H,29,30)/t15-,18-,25+,26+,28-/m1/s1
SMILES [C@@H]1(C([C@H](c2c([C@@H]1C)oc(c2)C1=CC(=O)O[C@H]([C@@]1(CCC(=O)O)C)c1cocc1)OC)(C)C)CC(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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