input word = C00033531

Metabolite InformationStructural formula
Name 15-epi-(4E)-jatrogrossidentadione
Formula C20H28O4
Mw 332.19875938
CAS RN 143120-24-5
C_ID C00033531 ,
InChIKey FBVWSXCVYVNYII-HYWLMDQKNA-N
InChICode InChI=1S/C20H28O4/c1-11-8-14-13(18(14,3)4)6-7-19(5,23)10-15-16(21)12(2)9-20(15,24)17(11)22/h9-11,13-14,23-24H,6-8H2,1-5H3/b15-10-/t11-,13+,14-,19+,20+/m1/s1
SMILES CC1=C[C@@]2(O)C(=O)[C@H](C)C[C@@H]3[C@H](CC[C@](C)(O)/C=CC1=O)C3(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeJatropha multifida Ref.
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