input word = C00058541

Metabolite InformationStructural formula
Name Javanicin X
Formula C21H28O7
Mw 392.18350325
CAS RN 138843-03-5
C_ID C00058541
InChIKey QJRKUPNUSZPWNU-DGWBXCKQSA-N
InChICode InChI=1S/C21H28O7/c1-9-10-7-15(23)28-14-6-11-12(22)8-13(26-4)19(25)21(11,3)18(20(10,14)2)16(24)17(9)27-5/h8-11,14,16-18,24H,6-7H2,1-5H3/t9-,10+,11+,14-,16-,17+,18+,20-,21+/m1/s1
SMILES COC1=CC(=O)[C@@H]2C[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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