input word = C00061722

Metabolite InformationStructural formula
Name rel-(5S,6S,7S,10R,12R,13S)-7-Hydroxyapiana-8,14-diene-11,16-dion-(22,6)-olide
Formula C23H28O5
Mw 384.193674
CAS RN 403613-18-3
C_ID C00061722
InChIKey IEPYKUBVROCHOQ-NLSSLDPGSA-N
InChICode InChI=1S/C23H28O5/c1-10(2)23-12(24)9-11(3)14(23)13-15(19(23)26)22-8-6-7-21(4,5)18(22)17(16(13)25)28-20(22)27/h9-10,14,16-18,25H,6-8H2,1-5H3/t14-,16-,17+,18-,22-,23-/m0/s1
SMILES CC1=CC(=O)C2(C(C)C)C(=O)C3=C(C(O)C4OC(=O)C35CCCC(C)(C)C45)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia officinalis Ref.
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