input word = C00047232

Metabolite InformationStructural formula
Name Excisanin K
Formula C20H30O5
Mw 350.20932407
CAS RN 675606-10-7
C_ID C00047232 ,
InChIKey NQABJFRJEKCYEC-IRUIMROYNA-N
InChICode InChI=1S/C20H30O5/c1-10-11-4-5-12-19(3)13(18(2,9-21)7-6-14(19)22)8-15(23)20(12,16(10)24)17(11)25/h11-15,17,21-23,25H,1,4-9H2,2-3H3/t11-,12-,13+,14-,15+,17+,18+,19-,20-/m0/s1
SMILES [C@@H]1([C@@]23[C@@H](CC[C@H]1C(=C)C3=O)[C@]1([C@H](C[C@H]2O)[C@](CC[C@@H]1O)(CO)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon scoparius Ref.
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