input word = C00017360

Metabolite InformationStructural formula
Name [4S-[4alpha(E),4aalpha,5alpha,8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-8a-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 3-methyl-2-pentenoic acid
Formula C21H30O4
Mw 346.21440945
CAS RN 59806-64-3
C_ID C00017360 ,
InChIKey NWHCWVQWNGWGCK-OPUJDGPPNA-N
InChICode InChI=1S/C21H30O4/c1-6-13(2)10-17(22)25-19-18-14(3)12-24-16(18)11-21(23)9-7-8-15(4)20(19,21)5/h10,12,15,19,23H,6-9,11H2,1-5H3/b13-10+/t15-,19+,20-,21-/m0/s1
SMILES C1C[C@@H]([C@@]2([C@](C1)(Cc1c([C@H]2OC(=O)/C=C(\C)/CC)c(co1)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeOthonna heterophylla Ref.
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