input word = C00047363

Metabolite InformationStructural formula
Name 3-Epipseurata B
(-)-3-Epipseurata B
Formula C20H30O5
Mw 350.20932407
CAS RN 1151580-36-7
C_ID C00047363 ,
InChIKey BRNLPJIEDLXFLS-MLLYZQCYNA-N
InChICode InChI=1S/C20H30O5/c1-9-15-10(21)7-12-19(4)6-5-13(22)18(2,3)11(19)8-14(23)20(12,16(9)24)17(15)25/h10-15,17,21-23,25H,1,5-8H2,2-4H3/t10-,11+,12-,13-,14+,15+,17+,19+,20-/m0/s1
SMILES [C@@H]1([C@@]23[C@@H](C[C@@H]([C@H]1C(=C)C3=O)O)[C@]1([C@H](C[C@H]2O)C([C@H](CC1)O)(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