input word = C00058543

Metabolite InformationStructural formula
Name Javanicin Z
Formula C22H32O7
Mw 408.21480338
CAS RN 168434-95-5
C_ID C00058543
InChIKey VNEGYUPJHGUJPY-TVQAPPBHSA-N
InChICode InChI=1S/C22H32O7/c1-9-7-12(27-5)19(26)22(4)14(9)15(24)20-21(3)11(8-13(23)29-20)10(2)17(28-6)16(25)18(21)22/h7,9-11,14-18,20,24-25H,8H2,1-6H3/t9-,10-,11+,14-,15-,16-,17+,18+,20-,21+,22+/m1/s1
SMILES COC1=C[C@@H](C)[C@@H]2[C@@H](O)[C@H]3OC(=O)C[C@H]4[C@@H](C)[C@H](OC)[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., (1995), 123, 222835.