input word = C00036126

Metabolite InformationStructural formula
Name Isochaihulactone
(-)-Isochaihulactone
Formula C22H22O7
Mw 398.13655306
CAS RN 652143-70-9
C_ID C00036126 ,
InChIKey CJLVKDPRUXBTJQ-UCAPHNDDNA-N
InChICode InChI=1S/C22H22O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,7-10,15H,6,11-12H2,1-3H3/b16-7-/t15-/m0/s1
SMILES c1c(c(c(cc1/C=C\1/[C@H](COC1=O)Cc1ccc2c(c1)OCO2)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeBupleurum scorzonerifolium Ref.
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OrganismBupleurum scorzonerifolium
ReferenceChang,Phytochem.,64,(2003),1375