input word = C00034779

Metabolite InformationStructural formula
Name 9alpha-Acetoxyandalucin
(-)-9alpha-Acetoxyandalucin
Formula C17H21Cl7
Mw 469.94629464
CAS RN 890046-51-2
C_ID C00034779 ,
InChIKey AZYPRDWPNZAEFM-SURFRHHVNA-N
InChICode InChI=1S/C17H21ClO7/c1-6-8-5-9(23-7(2)19)16(4,22)17-11(10(8)24-14(6)21)15(3,18)12(20)13(17)25-17/h8-13,20,22H,1,5H2,2-4H3/t8-,9+,10-,11-,12+,13-,15+,16+,17+/m0/s1
SMILES C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(C)=O)[C@@](C)(O)[C@]13O[C@H]1[C@@H](O)[C@](C)(Cl)[C@H]23
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchillea clavennae Ref.
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OrganismAchillea clavennae
ReferenceTrifunovic,Phytochem.,67,(2006),887