input word = C00048308

Metabolite InformationStructural formula
Name Agarospirol
(-)-Agarospirol
Formula C15H26O
Mw 222.19836545
CAS RN 1460-73-7
C_ID C00048308 ,
InChIKey ICWHTQRTTHCUHW-ZECJTJDJNA-N
InChICode InChI=1S/C15H26O/c1-11-6-5-7-12(2)15(11)9-8-13(10-15)14(3,4)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13-,15+/m1/s1
SMILES C1C=C([C@@]2([C@@H](C1)C)C[C@@H](CC2)C(C)(O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites albus Ref.
PlantaeAsteraceaePetasites hybridus Ref.
PlantaeCistaceaeCistus creticus Ref.
PlantaeRutaceaeFortunella margarita Ref.
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OrganismFortunella margarita
ReferenceAndrade, M. et al., Molecules, 21, (2016), 814