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.
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