input word = C00022233

Metabolite InformationStructural formula
Name Ninandrographolide
Andropanoside
Formula C26H40O9
Mw 496.26723288
CAS RN 82209-72-1
C_ID C00022233 ,
InChIKey MEEPUSVTMHGIPC-PVUNVFHRNA-N
InChICode InChI=1S/C26H40O9/c1-14-4-7-18-25(2,16(14)6-5-15-9-11-33-23(15)32)10-8-19(28)26(18,3)13-34-24-22(31)21(30)20(29)17(12-27)35-24/h9,16-22,24,27-31H,1,4-8,10-13H2,2-3H3/t16-,17-,18+,19-,20-,21+,22+,24-,25-,26+/m1/s1
SMILES C=C1CC[C@@H]2[C@](C)(CO[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)[C@H](O)CC[C@@]2(C)[C@@H]1CCC1=CCOC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAndrographis paniculata Ref.
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