input word = C00038326

Metabolite InformationStructural formula
Name 7S-Hydroxy-14-deoxyandrographolide
Formula C20H30O5
Mw 350.20932407
CAS RN 1020408-24-5
C_ID C00038326 ,
InChIKey KNCLIXUHDVRNQB-PGSYEGJMNA-N
InChICode InChI=1S/C20H30O5/c1-12-14(5-4-13-7-9-25-18(13)24)19(2)8-6-17(23)20(3,11-21)16(19)10-15(12)22/h7,14-17,21-23H,1,4-6,8-11H2,2-3H3/t14-,15+,16+,17-,19-,20+/m1/s1
SMILES C1(=C)[C@H](C[C@H]2[C@@]([C@@H]1CCC1=CCOC1=O)(CC[C@H]([C@]2(CO)C)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAndrographis paniculata Ref.
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OrganismAndrographis paniculata
ReferenceChen,J.Nat.Prod.,71,(2008),852