input word = C00041241

Metabolite InformationStructural formula
Name 12S-Hydroxyandrographolide
(-)-12S-Hydroxyandrographolide
Formula C20H32O6
Mw 368.21988875
CAS RN 869593-50-0
C_ID C00041241 ,
InChIKey NLYQWYLWLQBMPF-QYNGUYESNA-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 C1(=C)CC[C@H]2[C@@]([C@@H]1C[C@@H]([C@H]1C(=O)OC[C@H]1O)O)(CC[C@H]([C@]2(CO)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAndrographis paniculata Ref.
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