input word = C00012754

Metabolite InformationStructural formula
Name Agarol
Formula C15H20O3
Mw 248.1412445
CAS RN 5956-13-8
C_ID C00012754 ,
InChIKey VIULXZNWHKRQPB-XOTOMKBBNA-N
InChICode InChI=1S/C15H20O3/c1-7(2)9-5-12(16)11-6-18-15-13(11)10(9)4-8(3)14(15)17/h6-10,14,17H,4-5H2,1-3H3/t8-,9+,10+,14-/m0/s1
SMILES c12c3[C@@H]([C@H](CC1=O)C(C)C)C[C@@H]([C@@H](c3oc2)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeAquilaria agallocha Ref.
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