input word = C00046775

Metabolite InformationStructural formula
Name Ialibinone D
(-)-Ialibinone D
Formula C22H30O4
Mw 358.21440945
CAS RN 256471-49-5
C_ID C00046775 ,
InChIKey DKJCHNIBHLUBRY-NSRZQQJWNA-N
InChICode InChI=1S/C22H30O4/c1-8-12(4)16(23)15-17(24)21(7)10-14-20(5,6)13(11(2)3)9-22(14,18(15)25)19(21)26/h12-14,24H,2,8-10H2,1,3-7H3/t12-,13+,14-,21-,22+/m0/s1
SMILES [C@]12(C(=C(C(=O)[C@@]3([C@@H](C1)C([C@H](C3)C(=C)C)(C)C)C2=O)C(=O)[C@@H](C)CC)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum papuanum Ref.
zoom in