input word = C00038629

Metabolite InformationStructural formula
Name Bractealine
Formula C22H28O5
Mw 372.193674
CAS RN 261625-72-3
C_ID C00038629 ,
InChIKey IZLUYJAJUKKZHI-XHEJRLEYNA-N
InChICode InChI=1S/C22H28O5/c1-12(2)15-17(24)13-8-11-22(27-7)20(3,4)10-9-14(23)21(22,5)16(13)18(25)19(15)26-6/h1,8-11H2,2-7H3/t21-,22-/m1/s1
SMILES C1CC([C@]2([C@](C1=O)(C1=C(CC2)C(=O)C(=C(C1=O)OC)C(=C)C)C)OC)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia bracteata Banks and Sol. Ref.
PlantaeLabiataeSalvia bracteta Ref.
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OrganismSalvia bracteta
ReferenceUlubelen, et al., Phytochemistry, 52, (1999), 1455.