input word = C00012683

Metabolite InformationStructural formula
Name Benghalensin A
[6aS-(6aalpha,9alpha,9aalpha)]-3,6a,7,8,9,9a-Hexahydro-9a-hydroxy-6a-methyl-9-(1-methylethyl)-4H-naphtho[1,8-cd]-1,2-dioxin-4-one
Formula C15H20O4
Mw 264.13615913
CAS RN 87174-91-2
C_ID C00012683 ,
InChIKey IMGWEKFYJBBSKE-UHFFFAOYNA-N
InChICode InChI=1S/C15H20O4/c1-9(2)11-4-6-14(3)7-5-12(16)10-8-18-19-15(11,17)13(10)14/h5,7,9,11,17H,4,6,8H2,1-3H3/t11-,14-,15+/m1/s1
SMILES CC(C)C1CCC2(C)C=CC(=O)C3=C2C1(O)OOC3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMeriandra benghalensis Ref.
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