input word = C00047549

Metabolite InformationStructural formula
Name Pseurata F
Formula C22H30O7
Mw 406.19915331
CAS RN 132741-72-1
C_ID C00047549 ,
InChIKey REFIHMWJFFYWEB-PXBQDOOWNA-N
InChICode InChI=1S/C22H30O7/c1-9-17-11(24)6-13-21(5)12(7-15(26)22(13,18(9)27)19(17)28)20(3,4)16(8-14(21)25)29-10(2)23/h12-17,19,25-26,28H,1,6-8H2,2-5H3/t12-,13+,14+,15-,16+,17-,19+,21-,22+/m1/s1
SMILES [C@H]1([C@@]23[C@@H](CC(=O)[C@H]1C(=C)C3=O)[C@]1([C@H](C[C@H]2O)C([C@H](C[C@@H]1O)OC(=O)C)(C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon pharicus Ref.
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OrganismIsodon pharicus
ReferenceZhao,J.Nat.Prod.,72,(2009),988