input word = C00053907

Metabolite InformationStructural formula
Name Xylomolone C
Formula C28H32O9
Mw 512.20463262
CAS RN 2337077-62-8
C_ID C00053907
InChIKey GBCRJPZDUCULRH-BZYPKZEDSA-N
InChICode InChI=1S/C28H32O9/c1-14-16(7-9-26(4)17(14)11-18(29)36-21(26)15-8-10-35-12-15)27(5)20-19(22(30)34-6)37-24(32)28(33,23(27)31)13-25(20,2)3/h8,10-12,16,19-21,33H,1,7,9,13H2,2-6H3/t16-,19+,20-,21-,26+,27+,28-/m0/s1
SMILES C=C1C2=CC(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@@H]1[C@@]1(C)C(=O)[C@@]2(O)CC(C)(C)[C@@H]1[C@H](C(=O)OC)OC2=O
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.