input word = C00021349

Metabolite InformationStructural formula
Name 8-Coumaroyloxy-14-thapsanol
Formula C24H32O5
Mw 400.22497413
CAS RN 102358-35-0
C_ID C00021349 ,
InChIKey MEIBKHXXKNZYPZ-MNAPVYMVNA-N
InChICode InChI=1S/C24H32O5/c1-22(2)12-5-13-23(3)20(17-14-28-21(27)19(17)24(22,23)4)29-18(26)11-8-15-6-9-16(25)10-7-15/h6-11,17,19-21,25,27H,5,12-14H2,1-4H3/b11-8+/t17-,19-,20+,21-,23+,24+/m1/s1
SMILES CC1(C)CCC[C@@]2(C)[C@@H](OC(=O)/C=C/c3ccc(O)cc3)[C@@H]3CO[C@@H](O)[C@@H]3[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeThapsia villosa Ref.
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