input word = C00012990

Metabolite InformationStructural formula
Name [3aS-(3aalpha,5abeta,7alpha,9aalpha,9balpha)]-7-(Acetyloxy)decahydro-9a-hydroxy-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one
Formula C17H22O5
Mw 306.14672381
CAS RN 128988-29-4
C_ID C00012990 ,
InChIKey MAPRECFBTQVPIX-IKBWTKFMNA-N
InChICode InChI=1S/C17H22O5/c1-9-7-12(21-11(3)18)8-16(4)6-5-13-10(2)15(19)22-14(13)17(9,16)20/h12-14,20H,1-2,5-8H2,3-4H3/t12-,13-,14+,16-,17-/m0/s1
SMILES C1[C@]2([C@](C(=C)C[C@@H]1OC(=O)C)([C@H]1[C@@H](CC2)C(=C)C(=O)O1)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSphaeranthus suaveolens Ref.
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