input word = C00016541

Metabolite InformationStructural formula
Name XR 368
Xenovulene A
Formula C22H30O4
Mw 358.21440945
CAS RN 157842-16-5
C_ID C00016541 ,
InChIKey WDFUVZRTUNQXHC-WTJAFDDMNA-N
InChICode InChI=1S/C22H30O4/c1-13-6-7-15-19-16-14(12-25-19)17(23)18(24)20(16)26-22(15,4)10-5-9-21(2,3)11-8-13/h5,8-9,14-16,19,24H,6-7,10-12H2,1-4H3/b9-5+,13-8+/t14-,15-,16-,19-,22+/m0/s1
SMILES C/C1=CCC(C)(C)/C=C/C[C@@]2(C)OC3=C(O)C(=O)[C@H]4CO[C@H]([C@@H]34)[C@@H]2CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiHypocreaceaeAcremonium strictum Ref.
zoom in



OrganismAcremonium strictum
ReferenceAinsworth,J.Antibiotics,48,(1995),568