input word = C00021700

Metabolite InformationStructural formula
Name 9beta-Propionyloxy costunolide
Formula C18H24O4
Mw 304.16745925
CAS RN 68776-49-8
C_ID C00021700 ,
InChIKey ZJGIXMQFQDVSQX-KFIIFJGPNA-N
InChICode InChI=1S/C18H24O4/c1-5-17(19)21-15-10-14-13(4)18(20)22-16(14)9-11(2)7-6-8-12(15)3/h8-9,14-16H,4-7,10H2,1-3H3/b11-9+,12-8+/t14-,15-,16+/m0/s1
SMILES C1C/C(=C/[C@@H]2[C@@H](C[C@@H](/C(=C/1)/C)OC(=O)CC)C(=C)C(=O)O2)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula royleana Ref.
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OrganismInula royleana
ReferenceBohlmann,Phytochem.,17,(1978),1165