input word = C00012993

Metabolite InformationStructural formula
Name [3aR-(3aalpha,5abeta,7alpha,9balpha)]-7-(Acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-3a-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
Formula C17H22O5
Mw 306.14672381
CAS RN 128988-27-2
C_ID C00012993 ,
InChIKey DOHRVHAOURGWKT-QJUQTIKDNA-N
InChICode InChI=1S/C17H22O5/c1-9-7-12(21-11(3)18)8-16(4)5-6-17(20)10(2)15(19)22-14(17)13(9)16/h12,14,20H,2,5-8H2,1,3-4H3/t12-,14-,16-,17+/m0/s1
SMILES C=C1C(=O)O[C@H]2C3=C(C)C[C@H](OC(C)=O)C[C@]3(C)CC[C@@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSphaeranthus suaveolens Ref.
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OrganismSphaeranthus suaveolens
ReferenceJakupovic,Phytochem.,29,(1990),1213