input word = C00064418

Metabolite InformationStructural formula
Name Jaborosalactone A
Formula C28H38O5
Mw 454.27192432
CAS RN 5788-94-3
C_ID C00064418
InChIKey PQCMITGKFWXOBO-UHFFFAOYSA-N
InChICode InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3
SMILES CC1=C(CO)C(=O)OC(C(C)C2CCC3C4CC5OC56CC=CC(=O)C6(C)C4CCC23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania somnifera Ref.
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