input word = C00034195

Metabolite InformationStructural formula
Name Reniformin
(+)-Reniformin
Formula C28H40O6S
Mw 504.25455974
CAS RN 1006039-05-9
C_ID C00034195 ,
InChIKey AGDJVWIKQKSRIG-AERZKKPONA-N
InChICode InChI=1S/C28H40O6S/c1-26(15-16-29)18-21-6-9-23-24(19-26)27(2,12-10-21)13-14-28(23,3)25(30)34-22-7-4-20(5-8-22)11-17-35(31,32)33/h4-8,23-24,29H,9-19H2,1-3H3,(H,31,32,33)/b21-6+/t23-,24+,26-,27-,28-/m0/s1
SMILES C1C2=CC[C@H]3[C@H]([C@@](CC2)(CC[C@@]3(C(=O)Oc2ccc(cc2)CCS(=O)(=O)O)C)C)C[C@]1(CCO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGeraniaceaePelargonium reniforme Ref.
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OrganismPelargonium reniforme
ReferenceLatte,Phytochem.,69,(2008),820