input word = C00048114

Metabolite InformationStructural formula
Name Sculponin L
Formula C20H26O6
Mw 362.17293856
CAS RN 1182713-66-1
C_ID C00048114 ,
InChIKey CUCFNRCZJOPOQI-CEXXPDQONA-N
InChICode InChI=1S/C20H26O6/c1-10-11-6-12(22)13-18-5-3-4-17(2,8-21)14(18)16(24)20(25,26-9-18)19(13,7-11)15(10)23/h3,5,11,13-16,21,23-25H,1,4,6-9H2,2H3/t11-,13+,14-,15-,16+,17+,18-,19+,20-/m1/s1
SMILES C=C1[C@@H]2CC(=O)[C@H]3[C@]45C=CC[C@@](C)(CO)[C@H]4[C@H](O)[C@@](O)(OC5)[C@]3(C2)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon sculponeatus Ref.
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OrganismIsodon sculponeatus
ReferenceLi,J.Nat.Prod.,72,(2009),1851