input word = C00039339

Metabolite InformationStructural formula
Name Hativene A
(-)-Hativene A
Formula C29H44O11
Mw 568.28836225
CAS RN 263359-96-2
C_ID C00039339 ,
InChIKey NGGYLLJIBWFQCM-HUNUBKMCNA-N
InChICode InChI=1S/C29H44O11/c1-14(2)25(33)40-24-19(32)11-20-27(6,21-9-18-10-23(34-7)39-26(18)38-21)15(3)8-22(37-17(5)31)28(20,12-35-16(4)30)29(24)13-36-29/h14-15,18-24,26,32H,8-13H2,1-7H3/t15-,18+,19-,20-,21+,22+,23-,24+,26-,27+,28+,29-/m1/s1
SMILES [C@H]1(C[C@@H]([C@@]2([C@@H]([C@]1([C@@H]1C[C@@H]3[C@H](O1)O[C@H](C3)OC)C)C[C@H]([C@@H]([C@]12OC1)OC(=O)C(C)C)O)COC(=O)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAjuga pseudoiva Ref.
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