input word = C00045212

Metabolite InformationStructural formula
Name Adenanthin L
(+)-Adenanthin L
Formula C22H32O6
Mw 392.21988875
CAS RN 454703-19-6
C_ID C00045212 ,
InChIKey KBEDCYPLRWEKQT-IAIBFHMCNA-N
InChICode InChI=1S/C22H32O6/c1-11(10-23)13-6-14-8-16(26)20-21(3,4)18(28-12(2)24)9-17(27)22(20,5)19(14)15(25)7-13/h8,13,15,17-20,23,25,27H,1,6-7,9-10H2,2-5H3/t13-,15-,17-,18-,19-,20+,22-/m0/s1
SMILES C1[C@@H](C([C@@H]2[C@@]([C@H]1O)([C@H]1C(=CC2=O)C[C@@H](C[C@@H]1O)C(=C)CO)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon adenantha Ref.
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OrganismIsodon adenantha
ReferenceJiang,J.Nat.Prod.,65,(2002),1111