input word = C00059773

Metabolite InformationStructural formula
Name 4,5-Dioxo-4,5-seco-11(13)-cadinen-12-oic acid
Formula C15H22O4
Mw 266.15180919
CAS RN 137288-61-0
C_ID C00059773
InChIKey ZUVZYHLJLPPRFY-IGJVIKARSA-N
InChICode InChI=1S/C15H22O4/c1-9-4-6-13(11(3)15(18)19)14(8-16)12(9)7-5-10(2)17/h8-9,12-14H,3-7H2,1-2H3,(H,18,19)/t9?,12-,13-,14+/m1/s1;InChI=1S/C15H22O4/c1-9-4-6-13(11(3)15(18)19)14(8-16)12(9)7-5-10(2)17/h8-9,12-14H,3-7H2,1-2H3,(H,18,19)/t9-,12+,13+,14-/m1/s1;InChI=1S/C15H22O4/c1-9-4-6-13(11(3)15(18)19)14(8-16)12(9)7-5-10(2)17/h8-9,12-14H,3-7H2,1-2H3,(H,18,19)
SMILES C=C(C(=O)O)C1CCC(C)C(CCC(C)=O)C1C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia annua Ref.
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