input word = C00011672

Metabolite InformationStructural formula
Name (R*,R*)-[4-(1-hydroxy-1,5-dimethyl-4-hexenyl)-1-cyclohexen-1-yl]methyl ester 2-Furancarboxylic acid
Formula C20H28O4
Mw 332.19875938
CAS RN 126647-28-7
C_ID C00011672 ,
InChIKey SMHIKDBMNREKKM-RSGSQYTANA-N
InChICode InChI=1S/C20H28O4/c1-15(2)6-4-12-20(3,22)17-10-8-16(9-11-17)14-24-19(21)18-7-5-13-23-18/h5-8,13,17,22H,4,9-12,14H2,1-3H3/t17-,20+/m0/s1
SMILES c1cc(oc1)C(=O)OCC1=CC[C@@H](CC1)[C@](CCC=C(C)C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePodolepis rugata Ref.
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OrganismPodolepis rugata
ReferenceJaensch,Phytochem.,28,(1989),3497