input word = C00003539

Metabolite InformationStructural formula
Name Pfaffic acid
Formula C29H44O3
Mw 440.32904527
CAS RN 86432-14-6
C_ID C00003539 ,
InChIKey BATUAWIEUOEVJV-ZGARQFOANA-N
InChICode InChI=1S/C29H44O3/c1-25(2)20-9-12-28(5)21(27(20,4)11-10-22(25)30)8-7-18-16-13-26(3)14-17(24(31)32)23(16)19(26)15-29(18,28)6/h7,16-17,19-23,30H,8-15H2,1-6H3,(H,31,32)/t16-,17-,19+,20-,21+,22-,23+,26-,27-,28+,29+/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@H]3[C@@H](C2)[C@](C[C@@H]3C(=O)O)(C1)C)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaePfaffia paniculata Ref.
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