input word = C00044894

Metabolite InformationStructural formula
Name Ludongnin I
(-)-Ludongnin I
Formula C21H30O5
Mw 362.20932407
CAS RN 623943-58-8
C_ID C00044894 ,
InChIKey YPVJSAYFTDREBJ-HAHIBUIVNA-N
InChICode InChI=1S/C21H30O5/c1-12-13-5-6-14-20(11-26-18(23)21(14,9-13)16(12)22)8-4-7-19(2)10-25-17(24-3)15(19)20/h12-15,17H,4-11H2,1-3H3/t12-,13-,14+,15-,17+,19+,20-,21+/m1/s1
SMILES CO[C@H]1OC[C@]2(C)CCC[C@]3(COC(=O)[C@@]45C[C@@H](CC[C@H]43)[C@@H](C)C5=O)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon rubescens var.lushiensis Ref.
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