input word = C00036020

Metabolite InformationStructural formula
Name 7-Acetylhorminone
7alpha-Acetoxyroyleanone
Formula C22H30O5
Mw 374.20932407
CAS RN 6812-88-0
C_ID C00036020 ,
InChIKey XDBVTCDGDQLEKG-WJQPSFEGNA-N
InChICode InChI=1S/C22H30O5/c1-11(2)15-18(24)16-13(27-12(3)23)10-14-21(4,5)8-7-9-22(14,6)17(16)20(26)19(15)25/h11,13-14,25H,7-10H2,1-6H3/t13-,14+,22+/m1/s1
SMILES C1CC([C@H]2[C@](C1)(C1=C([C@@H](C2)OC(=O)C)C(=O)C(=C(C1=O)O)C(C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia amplexicaulis Lam. Ref.
PlantaeLabiataeSalvia austriaca Ref.
PlantaeLabiataeSalvia blepharochaena Hedge and Hub. Mor. Ref.
PlantaeLabiataeSalvia blepharochlaena Ref.
PlantaeLabiataeSalvia bracteata Banks and Sol. Ref.
PlantaeLabiataeSalvia eriophora Boiss and Kotschy Ref.
PlantaeLabiataeSalvia tomentosa Ref.
PlantaeLabiataeSalvia verticillata Ref.
PlantaeLamiaceaeColeus carnosus Ref.
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OrganismSalvia verticillata
ReferenceNagy,Phytochem.,52,(1999),1105