input word = C00040098

Metabolite InformationStructural formula
Name Pseurata C
Formula C22H30O6
Mw 390.20423869
CAS RN 130396-70-2
C_ID C00040098 ,
InChIKey VXFWYBMANDCLHW-GSJFKSQZNA-N
InChICode InChI=1S/C22H30O6/c1-10-17-12(24)8-14-21(5)7-6-16(28-11(2)23)20(3,4)13(21)9-15(25)22(14,18(10)26)19(17)27/h13-17,19,25,27H,1,6-9H2,2-5H3/t13-,14+,15-,16+,17-,19+,21-,22+/m1/s1
SMILES [C@H]1([C@]23[C@@H](C[C@@H]4C([C@H](CC[C@]4([C@@H]2CC(=O)[C@H]1C(=C)C3=O)C)OC(=O)C)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon japonicus Ref.
PlantaeLabiataeIsodon pharicus Ref.
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OrganismIsodon pharicus
ReferenceZhao,J.Nat.Prod.,72,(2009),988