input word = C00012922

Metabolite InformationStructural formula
Name Acetoxydiplophyllin
[3aS-(3aalpha,8abeta,9beta,9aalpha)]-9-(Acetyloxy)-3a,4,6,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Formula C17H22O4
Mw 290.15180919
CAS RN 64340-35-8
C_ID C00012922 ,
InChIKey VRIQQGSSTSKOGR-NRTWLZIANA-N
InChICode InChI=1S/C17H22O4/c1-9-6-5-7-17(4)13(9)8-12-10(2)16(19)21-14(12)15(17)20-11(3)18/h12,14-15H,2,5-8H2,1,3-4H3/t12-,14+,15+,17+/m0/s1
SMILES C=C1C(=O)O[C@H]2[C@@H](OC(C)=O)[C@]3(C)CCCC(C)=C3C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScapaniaceaeDiplophyllum albicans Ref.
PlantaeScapaniaceaeDiplophyllum taxifolium Ref.
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