input word = C00032824

Metabolite InformationStructural formula
Name Cilistol a
(+)-Cilistol a
Formula C28H40O5
Mw 456.28757439
CAS RN 344947-56-4
C_ID C00032824 ,
InChIKey BDZXFCPMKYCHFV-QNWSRUNVNA-N
InChICode InChI=1S/C28H40O5/c1-16(21-15-25(3)27(5,33-25)23(30)32-21)28(31)14-12-19-18-10-9-17-7-6-8-22(29)26(17,4)20(18)11-13-24(19,28)2/h6,8-9,16,18-21,23,30-31H,7,10-15H2,1-5H3/t16-,18+,19+,20+,21-,23-,24+,25+,26+,27-,28+/m1/s1
SMILES C1=CCC2=CC[C@@H]3[C@@H]([C@]2(C1=O)C)CC[C@]1([C@H]3CC[C@@]1([C@@H]([C@@H]1O[C@H]([C@@]2([C@](C1)(O2)C)C)O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum cilistum Ref.
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