input word = C00021347

Metabolite InformationStructural formula
Name 8-Angeloyloxy-14-thapsanol
Formula C20H32O4
Mw 336.23005951
CAS RN 92122-83-3
C_ID C00021347 ,
InChIKey WYCGITBNEASEQG-XJWFYMTHNA-N
InChICode InChI=1S/C20H32O4/c1-7-12(2)16(21)24-15-13-11-23-17(22)14(13)20(6)18(3,4)9-8-10-19(15,20)5/h7,13-15,17,22H,8-11H2,1-6H3/b12-7-/t13-,14-,15+,17-,19+,20+/m1/s1
SMILES C1CC([C@]2([C@@](C1)([C@H]([C@H]1[C@@H]2[C@@H](OC1)O)OC(=O)/C(=C\C)/C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeThapsia villosa Ref.
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OrganismThapsia villosa
ReferenceLemmich,Phytochem.,23,(1984),809