input word = C00042281

Metabolite InformationStructural formula
Name Betulifol A
(+)-Betulifol A
Formula C28H20O6
Mw 452.12598837
CAS RN 219759-04-3
C_ID C00042281 ,
InChIKey IXCJZDPJWABGNK-UEDAADEJNA-N
InChICode InChI=1S/C28H20O6/c29-15-5-1-13(2-6-15)27-25-19-9-17(31)12-22-24(19)26(20-10-18(32)11-21(33-27)23(20)25)28(34-22)14-3-7-16(30)8-4-14/h1-12,25-32H/t25-,26-,27+,28+/m1/s1
SMILES Oc1ccc([C@@H]2Oc3cc(O)cc4c3[C@H]2c2cc(O)cc3c2[C@@H]4[C@H](c2ccc(O)cc2)O3)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis amurensis Ref.
PlantaeVitaceaeVitis berlandieri Ref.
PlantaeVitaceaeVitis betulifolia Ref.
PlantaeVitaceaeVitis chunganensis Ref.
PlantaeVitaceaeVitis coignetiae Ref.
PlantaeVitaceaeVitis davidii Ref.
PlantaeVitaceaeVitis labrusca Ref.
PlantaeVitaceaeVitis pentagona Ref.
PlantaeVitaceaeVitis riparia Ref.
PlantaeVitaceaeVitis thunbergii Ref.
PlantaeVitaceaeVitis vinifera Ref.
--Muscadinia rotundifolia Ref.
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OrganismVitis coignetiae
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 4, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.