input word = C00011824

Metabolite InformationStructural formula
Name [3S-(3R*,3aR*,5R*,6E,10Z,11aS*)]-3a,4,5,8,9,11a-Hexahydro-5-hydroxy-10-(hydroxymethyl)-3,6-dimethylcyclodeca[b]furan-2(3H)-one
Formula C15H22O4
Mw 266.15180919
CAS RN 95298-48-9
C_ID C00011824 ,
InChIKey GSLRFQSAMMVDEI-YIPAZYPSNA-N
InChICode InChI=1S/C15H22O4/c1-9-4-3-5-11(8-16)6-14-12(7-13(9)17)10(2)15(18)19-14/h4,6,10,12-14,16-17H,3,5,7-8H2,1-2H3/b9-4+,11-6-/t10-,12-,13+,14+/m0/s1
SMILES C/C1=CCC/C(CO)=C/[C@@H]2OC(=O)[C@@H](C)[C@@H]2C[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea aspera Ref.
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OrganismCentaurea aspera
ReferencePicher,Phytochem.,23,(1984),2956

Gao,Phytochem.,29,(1990),2865

Arno,An.Quim.,80,(1984),277