input word = C00054130

Metabolite InformationStructural formula
Name Annuionone H
Formula C16H26O4
Mw 282.18310932
CAS RN 866925-33-9
C_ID C00054130
InChIKey BYXLHWMYPCTLJI-HRJTWFARSA-N
InChICode InChI=1S/C16H26O4/c1-5-10(2)11(17)6-7-13-15(3)9-20-16(13,4)8-12(18)14(15)19/h6-7,10-11,13-14,17,19H,5,8-9H2,1-4H3/b7-6+/t10?,11?,13-,14?,15-,16-/m1/s1
SMILES CCC(C)C(O)/C=C/[C@H]1[C@@]2(C)CC(=O)C(O)[C@]1(C)CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus annuus Ref.
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