input word = C00049069

Metabolite InformationStructural formula
Name 14,15-Dehydroajugareptansin
Formula C29H42O10
Mw 550.27779756
CAS RN 210052-19-0
C_ID C00049069 ,
InChIKey IQCFYFBZFGILCX-GTXAGBESNA-N
InChICode InChI=1S/C29H42O10/c1-7-15(2)25(33)38-20-12-21(32)29(14-36-29)28(13-35-17(4)30)23(37-18(5)31)10-16(3)27(6,24(20)28)22-11-19-8-9-34-26(19)39-22/h8-9,15-16,19-24,26,32H,7,10-14H2,1-6H3/t15-,16+,19+,20+,21-,22-,23-,24+,26+,27+,28+,29+/m0/s1
SMILES [C@@H]12[C@]([C@@]3([C@H](C[C@H]1OC(=O)[C@@H](C)CC)O)OC3)([C@H](C[C@H]([C@@]2([C@@H]1C[C@@H]2[C@@H](O1)OC=C2)C)C)OC(=O)C)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAjuga reptans Ref.
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