input word = C00053906

Metabolite InformationStructural formula
Name Xylomolone B
Formula C29H34O9
Mw 526.22028269
CAS RN 2337077-58-2
C_ID C00053906
InChIKey SJCPKGIZJXDTCN-OYNJIYSRSA-N
InChICode InChI=1S/C29H34O9/c1-14-22(24(27(33)34-6)36-15(2)30)28(3,4)26-18(23(14)32)11-17-19-12-21(31)38-25(16-8-10-35-13-16)29(19,5)9-7-20(17)37-26/h8,10,12-14,17,20,22,24-25H,7,9,11H2,1-6H3/t14-,17+,20+,22-,24+,25-,29+/m0/s1
SMILES COC(=O)[C@H](OC(C)=O)[C@@H]1[C@H](C)C(=O)C2=C(O[C@@H]3CC[C@]4(C)C(=CC(=O)O[C@H]4c4ccoc4)[C@H]3C2)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.