input word = C00022490

Metabolite InformationStructural formula
Name Rostratone
Methyl 3-oxo-18-hydroxy-8(17),13E-labdadien-15-oate
Formula C21H32O4
Mw 348.23005951
CAS RN 107424-15-7
C_ID C00022490 ,
InChIKey OAVJZQQCCILZMJ-CDKZTPTHNA-N
InChICode InChI=1S/C21H32O4/c1-14(12-19(24)25-5)6-8-16-15(2)7-9-17-20(16,3)11-10-18(23)21(17,4)13-22/h12,16-17,22H,2,6-11,13H2,1,3-5H3/b14-12+/t16-,17+,20+,21-/m0/s1
SMILES C1C(=O)[C@]([C@H]2[C@](C1)([C@H](C(=C)CC2)CC/C(=C/C(=O)OC)/C)C)(CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNolana rostrata Ref.
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OrganismNolana rostrata
ReferenceGarbarino,Phytochem.,25,(1986),2833