input word = C00038578

Metabolite InformationStructural formula
Name Barbiacoradienone
Formula C19H26O5
Mw 334.17802394
CAS RN 221391-05-5
C_ID C00038578 ,
InChIKey KTPMGTIXJWEUNR-KFNNTJQMNA-N
InChICode InChI=1S/C19H26O5/c1-10(2)16-15(22)9-12(4)19(16)8-7-11(3)17(23-13(5)20)18(19)24-14(6)21/h7,12,17-18H,8-9H2,1-6H3/t12-,17-,18-,19-/m1/s1
SMILES C1(=CC[C@@]2([C@@H]([C@@H]1OC(=O)C)OC(=O)C)[C@@H](CC(=O)C2=C(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScapaniaceaeBarbilophozia barbata Ref.
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OrganismBarbilophozia barbata
ReferenceNagashima,Phytochem.,51,(1999),563