input word = C00012137

Metabolite InformationStructural formula
Name 15-Hydroxy-3-dehydrotifruticin
Formula C20H24O8
Mw 392.14711774
CAS RN 119889-30-4
C_ID C00012137 ,
InChIKey SUBGEMJEVFBRLC-JJIQXLNVNA-N
InChICode InChI=1S/C20H24O8/c1-5-9(2)18(23)27-13-7-20(4,25)17-16(28-17)15(22)11(8-21)6-12-14(13)10(3)19(24)26-12/h5-6,12-14,16-17,21,25H,3,7-8H2,1-2,4H3/b9-5-,11-6-/t12-,13-,14+,16-,17-,20-/m1/s1
SMILES C\1=C(\C(=O)[C@@H]2[C@H]([C@](C[C@H]([C@@H]3[C@@H]1OC(=O)C3=C)OC(=O)/C(=C\C)/C)(C)O)O2)/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTithonia pedunculata Ref.
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