input word = C00053902

Metabolite InformationStructural formula
Name Xyloccensin N
Formula C29H38O9
Mw 530.25158281
CAS RN 758694-87-0
C_ID C00053902
InChIKey MNLMKJNZWPMQQJ-FDLVRFLTSA-N
InChICode InChI=1S/C29H38O9/c1-15(30)37-25-17-13-29(34)18(28(5,23(17)33)19(26(25,2)3)11-21(31)35-6)7-9-27(4)20(29)12-22(32)38-24(27)16-8-10-36-14-16/h8,10,14,17-20,24-25,34H,7,9,11-13H2,1-6H3/t17-,18-,19+,20-,24+,25-,27-,28-,29-/m1/s1
SMILES O=C1O[C@@H](C2=COC=C2)[C@]3(C)CC[C@]4([H])[C@]5(C)[C@@H](CC(OC)=O)C(C)(C)[C@H](OC(C)=O)[C@@]([H])(C5=O)C[C@]4(O)[C@]3([H])C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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OrganismXylocarpus granatum
ReferenceKumar, K. et al., J. Pharm. Biomed. Anal., 152, (2018), 224-233.