input word = C00041281

Metabolite InformationStructural formula
Name 5,6-Didehydro-O-methylsugiol
Formula C21H28O2
Mw 312.20893014
CAS RN 3918-56-7
C_ID C00041281 ,
InChIKey UOTMTFHWVAHDHO-RNZRUAGMNA-N
InChICode InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1
SMILES c1c2c(cc(c1OC)C(C)C)C(=O)C=C1[C@@]2(CCCC1(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia pachyphylla Ref.
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OrganismSalvia pachyphylla
ReferenceGuerrero,J.Nat.Prod.,69,(2006),1803