input word = C00038156

Metabolite InformationStructural formula
Name 12S,13S-Hydroxyandrographolide
Formula C20H32O6
Mw 368.21988875
CAS RN 1020673-18-0
C_ID C00038156 ,
InChIKey NLYQWYLWLQBMPF-DGTMYCEUNA-N
InChICode InChI=1S/C20H32O6/c1-11-4-5-15-19(2,7-6-16(24)20(15,3)10-21)12(11)8-13(22)17-14(23)9-26-18(17)25/h12-17,21-24H,1,4-10H2,2-3H3/t12-,13-,14-,15+,16-,17+,19-,20-/m1/s1
SMILES C=C1CC[C@@H]2C(C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C[C@@H](O)[C@@H]1C(=O)OC[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAndrographis paniculata Ref.
zoom in