input word = C00012390

Metabolite InformationStructural formula
Name Calbertolide A
Formula C17H20O5
Mw 304.13107375
CAS RN 98644-44-1
C_ID C00012390 ,
InChIKey NRPDUNZEGLWEON-VWAQUMHRNA-N
InChICode InChI=1S/C17H20O5/c1-10-8-16-14(11(2)17(20)22-16)6-4-13(5-7-15(10)19)9-21-12(3)18/h4,14,16H,1-2,5-9H2,3H3/b13-4-/t14-,16-/m1/s1
SMILES C=C1C[C@H]2OC(=O)C(=C)[C@H]2C/C=C(COC(C)=O)CCC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea berteriana Ref.
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