input word = C00022255

Metabolite InformationStructural formula
Name 14-Deoxy-11-oxoandrographolide
Formula C20H28O5
Mw 348.193674
CAS RN 42895-57-8
C_ID C00022255 ,
InChIKey WZHWNAKOQGIEEB-ZFVLLSJXNA-N
InChICode InChI=1S/C20H28O5/c1-12-4-5-15-19(2,8-6-16(23)20(15,3)11-21)17(12)14(22)10-13-7-9-25-18(13)24/h7,15-17,21,23H,1,4-6,8-11H2,2-3H3/t15-,16+,17-,19+,20-/m0/s1
SMILES C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C(=O)CC1=CCOC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAndrographis paniculata Ref.
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