input word = C00041953

Metabolite InformationStructural formula
Name Umbellacin A
(-)-Umbellacin A
Formula C20H30O5
Mw 350.20932407
CAS RN 871483-31-7
C_ID C00041953 ,
InChIKey KPSZOQWGVJOAOO-XCEYYUCINA-N
InChICode InChI=1S/C20H30O5/c1-18(2,24)8-4-5-14(11-21)15-6-9-19(3)13-20(25,16(15)12-22)10-7-17(19)23/h4-5,8,11-12,15-17,23-25H,6-7,9-10,13H2,1-3H3/b8-4+,14-5-/t15-,16-,17+,19+,20-/m1/s1
SMILES CC(C)(O)/C=C/C=C(/C=O)[C@H]1CC[C@@]2(C)C[C@](O)(CC[C@@H]2O)[C@@H]1C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePortulacaceae/XeniidaeXenia umbellata Ref.
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