input word = C00013104

Metabolite InformationStructural formula
Name 4-Hydroxydihydroagarofuran
[3R-(3alpha,5aalpha,9alpha,9aalpha)]-Octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-9-ol
Formula C15H26O2
Mw 238.19328007
CAS RN 15052-76-3
C_ID C00013104 ,
InChIKey XEAXSPJWIVZRTF-CWQVZVRNNA-N
InChICode InChI=1S/C15H26O2/c1-12(2)11-6-9-13(3)7-5-8-14(4,16)15(13,10-11)17-12/h11,16H,5-10H2,1-4H3/t11-,13+,14-,15-/m1/s1
SMILES [C@@]1(CCC[C@@]2([C@@]31C[C@@H](CC2)C(O3)(C)C)C)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeAquilaria agallocha Ref.
PlantaeZingiberaceaeAlpinia japonica Ref.
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