input word = C00050876

Metabolite InformationStructural formula
Name Isobauerenyl acetate
Formula C32H52O2
Mw 468.3967309
CAS RN 18541-62-3
C_ID C00050876
InChIKey GXGXUGKOSZFXNS-WQXJUBSANA-N
InChICode InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)24-10-11-25-28(4,5)26(34-22(3)33)14-16-30(25,7)23(24)13-17-32(31,9)27(29)21(20)2/h20-21,25-27H,10-19H2,1-9H3/t20-,21+,25+,26+,27-,29-,30-,31-,32+/m1/s1
SMILES CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@@]1(C)CC[C@@]2(C)CC[C@@H](C)[C@H](C)[C@H]2[C@]1(C)CC3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeForsythia suspensa Ref.
zoom in



OrganismForsythia suspensa
ReferenceChinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999)