input word = C00053905

Metabolite InformationStructural formula
Name Xylomolone A
Formula C29H34O9
Mw 526.22028269
CAS RN 2337077-56-0
C_ID C00053905
InChIKey QQXSXEWOPXLHPT-DTNRJXPISA-N
InChICode InChI=1S/C29H34O9/c1-14-22(24(27(33)34-6)36-15(2)30)28(3,4)25(32)18-11-17-19-12-21(31)38-26(16-8-10-35-13-16)29(19,5)9-7-20(17)37-23(14)18/h8,10,12-14,17,20,22,24,26H,7,9,11H2,1-6H3/t14-,17+,20+,22-,24+,26?,29+/m0/s1
SMILES COC(=O)[C@H](OC(C)=O)[C@@H]1[C@H](C)C2=C(C[C@@H]3C4=CC(=O)OC(c5ccoc5)[C@]4(C)CC[C@H]3O2)C(=O)C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus moluccensis Ref.
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OrganismXylocarpus moluccensis
ReferenceLi, W-S. et al., J. Org. Chem., 84, (2019), 2596-2606.