input word = C00039341

Metabolite InformationStructural formula
Name Hativene C
(-)-Hativene C
Formula C29H44O11
Mw 568.28836225
CAS RN 263359-98-4
C_ID C00039341 ,
InChIKey NGGYLLJIBWFQCM-HWYDZPRZNA-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 CO[C@@H]1C[C@@H]2C[C@@H]([C@@]3(C)[C@H](C)C[C@H](OC(C)=O)[C@]4(COC(C)=O)[C@@H]3C[C@H](O)[C@H](OC(=O)C(C)C)[C@]43CO3)O[C@@H]2O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAjuga pseudoiva Ref.
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