input word = C00012345

Metabolite InformationStructural formula
Name 4alpha,5beta-Epoxy-8-epi-inunolide
Formula C15H20O3
Mw 248.1412445
CAS RN 87480-83-9
C_ID C00012345 ,
InChIKey RYQABBMOWVCVPW-GLUFNFIXNA-N
InChICode InChI=1S/C15H20O3/c1-9-5-4-6-15(3)13(18-15)8-11-10(2)14(16)17-12(11)7-9/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12+,13-,15-/m1/s1
SMILES [C@H]12[C@@H](OC(=O)C1=C)C/C(=C/CC[C@@]1([C@@H](C2)O1)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea szyszylowiczii Ref.
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