input word = C00020844

Metabolite InformationStructural formula
Name Linichlorin C
Formula C21H27ClO9
Mw 458.13436017
CAS RN 66761-10-2
C_ID C00020844 ,
InChIKey BQZOLDKICRHJKZ-UHFFFAOYNA-N
InChICode InChI=1S/C21H27ClO9/c1-9-5-13(30-19(26)20(4,27)7-22)15-10(2)18(25)31-17(15)16-12(9)6-14(29-11(3)24)21(16,28)8-23/h12-17,23,27-28H,1-2,5-8H2,3-4H3/t12-,13+,14+,15-,16-,17+,20-,21-/m0/s1
SMILES C=C1CC(OC(=O)C(C)(O)CCl)C2C(=C)C(=O)OC2C2C1CC(OC(C)=O)C2(O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea linifolia Ref.
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OrganismCentaurea linifolia
ReferenceGonzalez,Can. J. Chem.,56,(1978),491