input word = C00020512

Metabolite InformationStructural formula
Name Aguerin B
Formula C19H22O5
Mw 330.14672381
CAS RN 68370-45-6
C_ID C00020512 ,
InChIKey ZGDWDAMVZDRRQA-PTYWTVPZNA-N
InChICode InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1
SMILES C1(=O)O[C@H]2[C@H](C1=C)[C@H](CC(=C)[C@H]1[C@@H]2C(=C)[C@H](C1)O)OC(=O)C(=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea canariensis Ref.
PlantaeAsteraceaeCentaurea linifolia Ref.
PlantaeAsteraceaeCentaurea repens Ref.
PlantaeAsteraceaeCentaurea sventenii Ref.
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OrganismCentaurea canariensis
ReferenceGonzales,Phytochem.,17,(1978),955