input word = C00021693

Metabolite InformationStructural formula
Name Decumbeside C
Formula C26H32O13
Mw 552.18429111
CAS RN 111467-42-6
C_ID C00021693 ,
InChIKey LHTQMLIHNMPGFV-RDLQGKCQNA-N
InChICode InChI=1S/C26H32O13/c1-13(28)39-25(2)11-17(30)26(34)9-10-35-24(22(25)26)38-23-20(33)21(19(32)16(12-27)36-23)37-18(31)8-5-14-3-6-15(29)7-4-14/h3-10,16-17,19-24,27,29-30,32-34H,11-12H2,1-2H3/b8-5-/t16-,17+,19+,20+,21-,22+,23-,24-,25-,26-/m0/s1
SMILES [C@]12([C@H]([C@@H](OC=C1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)OC(=O)/C=C\c1ccc(cc1)O)O)[C@@](C[C@H]2O)(C)OC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAjuga decumbens Ref.
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