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@H]12[C@H]3[C@@](OC4=C(C(=O)[C@H]([C@@H]14)CO2)O)(C)C/C=C/C(C/C=C(/CC3)\C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiHypocreaceaeAcremonium strictum Ref.
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