input word = C00021703

Metabolite InformationStructural formula
Name 9beta-Isobutyryloxy costunolide
Formula C19H26O4
Mw 318.18310932
CAS RN 68781-02-2
C_ID C00021703 ,
InChIKey XXAILDIUKGAZIM-MQIQNQNJNA-N
InChICode InChI=1S/C19H26O4/c1-11(2)18(20)22-16-10-15-14(5)19(21)23-17(15)9-12(3)7-6-8-13(16)4/h8-9,11,15-17H,5-7,10H2,1-4H3/b12-9+,13-8+/t15-,16-,17+/m0/s1
SMILES C1C/C(=C/[C@@H]2[C@@H](C[C@@H](/C(=C/1)/C)OC(=O)C(C)C)C(=C)C(=O)O2)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula helenium Ref.
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OrganismInula helenium
ReferenceBohlmann,Phytochem.,17,(1978),1165