input word = C00039936

Metabolite InformationStructural formula
Name Pedonin
Formula C27H32O9
Mw 500.20463262
CAS RN 108529-71-1
C_ID C00039936 ,
InChIKey GJLBWHSLFFELLH-VHORORQSNA-N
InChICode InChI=1S/C27H32O9/c1-22(2)26(11-8-18(29)35-22)13-17(28)24(4)16(25(26,5)32)7-10-23(3,19(30)15-9-12-34-14-15)27(24)20(36-27)21(31)33-6/h8-9,11-12,14,16,20,32H,7,10,13H2,1-6H3/t16-,20+,23-,24-,25-,26-,27+/m0/s1
SMILES C1[C@]2([C@]([C@@H]3[C@@](C1=O)([C@]1([C@@](CC3)(C(=O)c3cocc3)C)[C@H](O1)C(=O)OC)C)(O)C)C(OC(=O)C=C2)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeHarrisonia abyssinica Ref.
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