input word = C00030661

Metabolite InformationStructural formula
Name Limbatenolide E
(+)-Limbatenolide E
Formula C20H22O4
Mw 326.15180919
CAS RN 943332-06-7
C_ID C00030661 ,
InChIKey BMVREYKIVKWOCQ-LGCIAFQHNA-N
InChICode InChI=1S/C20H22O4/c1-19-6-3-7-20(2)17(19)15(24-18(20)22)9-12-8-14-11(4-5-13(12)19)10-16(21)23-14/h8,10,15,17H,3-7,9H2,1-2H3/t15-,17-,19-,20+/m1/s1
SMILES C[C@@]12CCC[C@]3(C)C4=C(C=C5OC(=O)C=C5CC4)C[C@@H](OC1=O)[C@@H]23
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOtostegia limbata Ref.
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OrganismOtostegia limbata
ReferenceFarooq,Chem.Pharm.Bull.,55,(2007),471