input word = C00041955

Metabolite InformationStructural formula
Name Umbellacin C
(+)-Umbellacin C
Formula C20H28O4
Mw 332.19875938
CAS RN 871483-35-1
C_ID C00041955 ,
InChIKey VDKKZKHDDPOYMA-LQZRSFNSNA-N
InChICode InChI=1S/C20H28O4/c1-19(2,23)9-4-5-14-12-24-18(22)17-13-6-7-16(21)20(3,11-13)10-8-15(14)17/h4-6,9,15-17,21,23H,7-8,10-12H2,1-3H3/b9-4+,14-5-/t15-,16+,17+,20+/m1/s1
SMILES CC(C)(O)/C=C/C=C1/COC(=O)[C@H]2C3=CC[C@H](O)[C@@](C)(CC[C@H]12)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePortulacaceae/XeniidaeXenia umbellata Ref.
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