input word = C00063854

Metabolite InformationStructural formula
Name Jatamanin O
Formula C17H23ClO7
Mw 374.1132308
CAS RN 1417724-83-4
C_ID C00063854
InChIKey OUBHXEKNEPTQMP-NVXRGKMDSA-N
InChICode InChI=1S/C17H23ClO7/c1-8(2)5-12(20)23-15-13-16(21)6-11(22-10(4)19)17(13,7-18)25-14(24-15)9(16)3/h8,11,13-15,21H,3,5-7H2,1-2,4H3/t11-,13-,14?,15+,16-,17+/m0/s1
SMILES C=C1C2OC(OC(=O)CC(C)C)C3C1(O)CC(OC(C)=O)C3(CCl)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansi Ref.
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