input word = C00012126

Metabolite InformationStructural formula
Name Piptocarphin F
Formula C21H28O8
Mw 408.17841787
CAS RN 76215-53-7
C_ID C00012126 ,
InChIKey UBMOPFJLLXVNIM-SPAOMBMXNA-N
InChICode InChI=1S/C21H28O8/c1-6-26-11-13-16-14(28-18(13)23)9-19(4)7-8-21(25,29-19)20(5,24)10-15(16)27-17(22)12(2)3/h9,15,24-25H,2,6-8,10-11H2,1,3-5H3/b14-9+/t15-,19-,20-,21+/m1/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(COCC)=C31)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePiptocarpha chontalensis Ref.
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