input word = C00063863

Metabolite InformationStructural formula
Name E-Vitisin B
Formula C56H42O12
Mw 906.26762681
CAS RN 142449-90-9
C_ID C00063863
InChIKey WZKKRZSJTLGPHH-UHFFFAOYSA-N
InChICode InChI=1S/C56H42O12/c57-35-10-4-29(5-11-35)54-50(33-19-38(60)23-39(61)20-33)49-32(18-42(64)26-47(49)67-54)3-1-28-2-16-46-44(17-28)52(56(66-46)31-8-14-37(59)15-9-31)45-25-43(65)27-48-53(45)51(34-21-40(62)24-41(63)22-34)55(68-48)30-6-12-36(58)13-7-30/h1-27,50-52,54-65H
SMILES Oc1ccc(C2Oc3ccc(C=Cc4cc(O)cc5c4C(c4cc(O)cc(O)c4)C(c4ccc(O)cc4)O5)cc3C2c2cc(O)cc3c2C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O3)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis amurensis Ref.
PlantaeVitaceaeVitis arizonica Ref.
PlantaeVitaceaeVitis berlandieri Ref.
PlantaeVitaceaeVitis betulifolia Ref.
PlantaeVitaceaeVitis candicans Ref.
PlantaeVitaceaeVitis champini Ref.
PlantaeVitaceaeVitis cinerea Ref.
PlantaeVitaceaeVitis doaniana Ref.
PlantaeVitaceaeVitis labrusca Ref.
PlantaeVitaceaeVitis longii Ref.
PlantaeVitaceaeVitis riparia Ref.
PlantaeVitaceaeVitis rupestris Ref.
PlantaeVitaceaeVitis solonis Ref.
PlantaeVitaceaeVitis solonis longii Ref.
PlantaeVitaceaeVitis vinifera Ref.
--Muscadinia rotundifolia Ref.
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OrganismVitis champini
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 4, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.