input word = C00040950

Metabolite InformationStructural formula
Name Duranterectoside C
Formula C26H32O14
Mw 568.17920573
CAS RN 166736-11-4
C_ID C00040950 ,
InChIKey NQXDDVZOWBZZHN-VMPITWQZNA-N
InChICode InChI=1S/C26H32O14/c1-25(34)16(39-17(29)8-5-12-3-6-13(28)7-4-12)9-26(35)14(22(33)36-2)11-37-24(21(25)26)40-23-20(32)19(31)18(30)15(10-27)38-23/h3-8,11,15-16,18-21,23-24,27-28,30-32,34-35H,9-10H2,1-2H3/b8-5+/t15-,16+,18-,19+,20-,21-,23+,24+,25-,26+/m0/s1
SMILES O1C=C([C@]2([C@@H]([C@H]1O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)[C@]([C@@H](C2)OC(=O)/C=C/c1ccc(cc1)O)(O)C)O)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeBouchea fluminensis Ref.
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