input word = C00047454

Metabolite InformationStructural formula
Name Heteroplexisolide E
(+)-Heteroplexisolide E
Formula C13H18O3
Mw 222.12559444
CAS RN 1158090-86-8
C_ID C00047454 ,
InChIKey HAGKOYTUAINBNR-PGSPQSGQNA-N
InChICode InChI=1S/C13H18O3/c1-9(2)7-12-8-11(13(15)16-12)6-4-5-10(3)14/h6-7,12H,4-5,8H2,1-3H3/b11-6+/t12-/m1/s1
SMILES C\1(=C/CCC(=O)C)/C[C@H](OC1=O)C=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHeteroplexis microcephala Ref.
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