input word = C00034370

Metabolite InformationStructural formula
Name 14-Acetylandrographolide
Formula C22H32O6
Mw 392.21988875
CAS RN 372939-37-2
C_ID C00034370 ,
InChIKey BIBPDMPNXWHNPK-BNQKFVQGNA-N
InChICode InChI=1S/C22H32O6/c1-13-5-8-18-21(3,10-9-19(25)22(18,4)12-23)16(13)7-6-15-17(28-14(2)24)11-27-20(15)26/h6,16-19,23,25H,1,5,7-12H2,2-4H3/b15-6+/t16-,17-,18+,19-,21-,22+/m1/s1
SMILES C1(=C)CC[C@H]2[C@@]([C@@H]1C/C=C\1/C(=O)OC[C@H]1OC(=O)C)(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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