input word = C00021699

Metabolite InformationStructural formula
Name 9beta-Hydroxy costunolide
Formula C15H20O3
Mw 248.1412445
CAS RN 126621-29-2
C_ID C00021699 ,
InChIKey CHKPFVHCBRAVJP-RTHLCPQDNA-N
InChICode InChI=1S/C15H20O3/c1-9-5-4-6-10(2)13(16)8-12-11(3)15(17)18-14(12)7-9/h6-7,12-14,16H,3-5,8H2,1-2H3/b9-7+,10-6+/t12-,13-,14+/m0/s1
SMILES C=C1C(=O)O[C@@H]2/C=C(C)CC/C=C(C)[C@@H](O)C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula helenium Ref.
PlantaeAsteraceaeInula royleana Ref.
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