input word = C00012121

Metabolite InformationStructural formula
Name Piptocarphin A
Formula C21H26O9
Mw 422.15768243
CAS RN 76248-63-0
C_ID C00012121 ,
InChIKey BZQDHZDSIXPDSS-OKRQSNPDNA-N
InChICode InChI=1S/C21H26O9/c1-11(2)17(23)28-15-9-20(5,25)21(26)7-6-19(4,30-21)8-14-16(15)13(18(24)29-14)10-27-12(3)22/h8,15,25-26H,1,6-7,9-10H2,2-5H3/b14-8+/t15-,19+,20+,21-/m0/s1
SMILES 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.
PlantaeAsteraceaeVernonia mollissima Ref.
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