input word = C00003068

Metabolite InformationStructural formula
Name Agnuside
Buddlejoside A
Formula C22H26O11
Mw 466.14751167
CAS RN 11027-63-7
C_ID C00003068 ,
InChIKey GLACGTLACKLUJX-ZFUGVIKBNA-N
InChICode InChI=1S/C22H26O11/c23-8-15-17(26)18(27)19(28)22(32-15)33-21-16-11(7-14(25)13(16)5-6-30-21)9-31-20(29)10-1-3-12(24)4-2-10/h1-7,13-19,21-28H,8-9H2/t13-,14+,15+,16-,17-,18+,19-,21+,22+/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@H]1CO)O[C@@H]1OC=C[C@H]2[C@H]1C(=C[C@@H]2O)COC(=O)c1ccc(cc1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBuddlejaceaeBuddleja crispa Ref.
PlantaeGlobulariaceaeGlobularia davisiana Ref.
PlantaeLabiataeVitex agnus-castus Ref.
PlantaeLabiataeVitex altissima Ref.
PlantaeLabiataeVitex cannabifolia Sieb.et.Zucc. Ref.
PlantaeLabiataeVitex lucens Ref.
PlantaeLabiataeVitex negundo Ref.
PlantaeLabiataeVitex trifoliata Ref.
PlantaeOrobanchaceaeRhinanthus spp. Ref.
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