input word = C00042010

Metabolite InformationStructural formula
Name (4S)-2beta-Acetoxyvalparol-15-en-3-one
Formula C22H34O3
Mw 346.25079495
CAS RN 215608-19-8
C_ID C00042010 ,
InChIKey VMHQJSMVOWLASS-RYBIHSOCNA-N
InChICode InChI=1S/C22H34O3/c1-13(2)16-7-10-22(6)18(16)8-9-21(5)12-19(25-15(4)24)17(14(3)23)11-20(21)22/h16-20H,1,7-12H2,2-6H3/t16-,17+,18+,19-,20+,21+,22+/m0/s1
SMILES C1[C@@H]2[C@@](C[C@@H]([C@H]1C(=O)C)OC(=O)C)(CC[C@H]1[C@]2(CC[C@H]1C(=C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCistaceaeHalimium viscosum Ref.
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OrganismHalimium viscosum
ReferenceRodilla,Phytochem.,49,(1998),817