input word = C00048920

Metabolite InformationStructural formula
Name Xylogranatin N
(-)-Xylogranatin N
Formula C32H40O10
Mw 584.2621475
CAS RN 1033090-46-8
C_ID C00048920 ,
InChIKey SUDQSSBJBLXQMO-JVHOHSGHNA-N
InChICode InChI=1S/C32H40O10/c1-8-17(2)30(37)42-29-20-13-23(40-27(20)18(3)21(31(29,4)5)14-25(35)38-7)22-15-26(36)41-28(19-10-12-39-16-19)32(22,6)11-9-24(33)34/h10,12-13,15-18,21,28-29H,8-9,11,14H2,1-7H3,(H,33,34)/t17-,18+,21+,28-,29-,32+/m0/s1
SMILES CC[C@H](C)C(=O)O[C@H]1c2cc(C3=CC(=O)O[C@@H](c4ccoc4)[C@]3(C)CCC(=O)O)oc2[C@H](C)[C@@H](CC(=O)OC)C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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