input word = C00012702

Metabolite InformationStructural formula
Name Pluchecinin
Formula C21H30O7
Mw 394.19915331
CAS RN 122398-18-9
C_ID C00012702 ,
InChIKey QTONZIOQMXPFGE-UHFFFAOYNA-N
InChICode InChI=1S/C21H30O7/c1-11(17(23)26-6)13-9-15-19(3,10-14(13)22)8-7-16(20(15,4)25)27-18(24)21(5)12(2)28-21/h12-13,15-16,25H,1,7-10H2,2-6H3/t12-,13-,15+,16-,19+,20-,21-/m1/s1
SMILES C=C(C(=O)OC)C1CC2C(C)(CCC(OC(=O)C3(C)OC3C)C2(C)O)CC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePluchea arguta Ref.
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