input word = C00012891

Metabolite InformationStructural formula
Name Isoasterolide B
[3S-(3alpha,4abeta,8aalpha)]-4,4a,5,6,7,8,8a,9-Octahydro-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2(3H)-one
Formula C15H20O2
Mw 232.14632988
CAS RN 74634-79-0
C_ID C00012891 ,
InChIKey HVXUKRCJYSIZFL-NFRICOIINA-N
InChICode InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h10,12H,1,4-8H2,2-3H3/t10-,12-,15+/m0/s1
SMILES C1(=C)[C@H]2[C@](CCC1)(CC1=C(C2)[C@@H](C(=O)O1)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAster umbellatus Ref.
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OrganismAster umbellatus
ReferenceBohlmann,Phytochem.,19,(1980),433