input word = C00058542

Metabolite InformationStructural formula
Name Javanicin Y
Formula C20H26O8
Mw 394.16276781
CAS RN 138843-04-6
C_ID C00058542
InChIKey LYWFBBUSPUTCNA-MMCOPDDKSA-N
InChICode InChI=1S/C20H26O8/c1-18-8(9(21)6-10(27-4)16(18)24)5-12-19(2)11(7-13(22)28-12)20(3,26)17(25)14(23)15(18)19/h6,8,11-12,14-15,17,23,25-26H,5,7H2,1-4H3/t8-,11+,12+,14-,15+,17+,18-,19+,20-/m0/s1
SMILES COC1=CC(=O)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@](C)(O)[C@H](O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaePicrasma javanica Ref.
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OrganismPicrasma javanica
ReferenceK. Koike et al., Chem. Abs., (1991), 116, 80437.