input word = C00064255

Metabolite InformationStructural formula
Name Pallidol 3,3''-diglucoside
Formula C40H42O16
Mw 778.2472853
CAS RN 285568-85-6
C_ID C00064255
InChIKey BYOGHJOVDNNJNN-FLBOZUSKSA-N
InChICode InChI=1S/C40H42O16/c41-13-25-33(47)35(49)37(51)39(55-25)53-19-9-21-29(23(45)11-19)27(15-1-5-17(43)6-2-15)31-22-10-20(54-40-38(52)36(50)34(48)26(14-42)56-40)12-24(46)30(22)28(32(21)31)16-3-7-18(44)8-4-16/h1-12,25-28,31-52H,13-14H2/t25-,26-,27-,28-,31+,32+,33-,34-,35+,36+,37-,38-,39-,40-/m1/s1
SMILES OCC1OC(Oc2cc(O)c3c(c2)C2C(c4ccc(O)cc4)c4c(O)cc(OC5OC(CO)C(O)C(O)C5O)cc4C2C3c2ccc(O)cc2)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis coignetiae Ref.
PlantaeVitaceaeVitis labrusca Ref.
PlantaeVitaceaeVitis vinifera Ref.
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OrganismVitis labrusca
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 4, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.