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 C1[C@H]2[C@](CC(=O)[C@H]1C(=C)C(=O)OC)(CC[C@H]([C@]2(C)O)OC(=O)[C@]1([C@H](O1)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePluchea arguta Ref.
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