input word = C00019824

Metabolite InformationStructural formula
Name Cyclohoehnelia coumarin
Formula C20H20O5
Mw 340.13107375
CAS RN 152868-64-9
C_ID C00019824 ,
InChIKey LQWKCEWXDVNHSN-QCHGDXGTNA-N
InChICode InChI=1S/C20H20O5/c1-9-6-5-7-11-13(9)20-18(4)14-12(24-15(18)21)8-17(3,10(2)25-20)19(14,20)16(22)23-11/h5-7,10,12,14H,8H2,1-4H3/t10-,12+,14-,17+,18-,19-,20+/m1/s1
SMILES c1ccc2c(c1C)[C@]13[C@]4(C(=O)O2)[C@]([C@H](O1)C)(C[C@H]1[C@@H]4[C@@]3(C(=O)O1)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEthulia vernonioides Ref.
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OrganismEthulia vernonioides
ReferenceSchuster,Phytochem.,34,(1993),1179