input word = C00012122

Metabolite InformationStructural formula
Name Piptocarphin B
Formula C22H28O9
Mw 436.17333249
CAS RN 76215-49-1
C_ID C00012122 ,
InChIKey MQNMSVWAHXTXJT-WJBKANAKNA-N
InChICode InChI=1S/C22H28O9/c1-6-12(2)18(24)29-16-10-21(5,26)22(27)8-7-20(4,31-22)9-15-17(16)14(19(25)30-15)11-28-13(3)23/h6,9,16,26-27H,7-8,10-11H2,1-5H3/b12-6+,15-9+/t16-,20-,21+,22+/m0/s1
SMILES C/C=C(C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]2(O)CC[C@@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePiptocarpha chontalensis Ref.
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