input word = C00010500

Metabolite InformationStructural formula
Name Brasoside
Formula C16H22O9
Mw 358.1263823
CAS RN 70980-41-5
C_ID C00010500 ,
InChIKey QFPBGXPLBMXTBI-OHZXMWNWNA-N
InChICode InChI=1S/C16H22O9/c1-5-2-7-10-6(14(21)23-7)4-22-15(9(5)10)25-16-13(20)12(19)11(18)8(3-17)24-16/h4-5,7-13,15-20H,2-3H2,1H3/t5-,7-,8+,9+,10-,11+,12-,13-,15-,16-/m0/s1
SMILES C[C@H]1C[C@@H]2OC(=O)C3=CO[C@@H](O[C@@H]4OC(CO)[C@@H](O)C(O)[C@@H]4O)[C@H]1[C@@H]32
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeVerbena brasiliensis Ref.
PlantaeVerbenaceaeVerbena hastata Ref.
PlantaeVerbenaceaeVerbena officinalis Ref.
PlantaeVerbenaceaeVerbena spp. Ref.
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OrganismVerbena officinalis
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 4, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.