input word = C00033606

Metabolite InformationStructural formula
Name 9alpha-Acetoxycumambrin B
Formula C17H22O6
Mw 322.14163844
CAS RN 198065-75-7
C_ID C00033606 ,
InChIKey KPBBBVPEDCAESM-NCRAGNPENA-N
InChICode InChI=1S/C17H22O6/c1-7-5-6-10-11(7)14-12(8(2)16(20)23-14)13(19)15(17(10,4)21)22-9(3)18/h5,10-15,19,21H,2,6H2,1,3-4H3/t10-,11+,12+,13-,14-,15-,17+/m1/s1
SMILES C1(=CC[C@@H]2[C@H]1[C@@H]1[C@H]([C@@H](O)[C@H]([C@]2(O)C)OC(=O)C)C(=C)C(=O)O1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAnthemis carpatica Ref.
PlantaeAsteraceaeAnthemis cretica subsp.cretica Ref.
PlantaeAsteraceaeAnthemis plutonia Ref.
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