input word = C00031850

Metabolite InformationStructural formula
Name Hemiphroside A
Formula C31H40O16
Mw 668.23163523
CAS RN 165338-27-2
C_ID C00031850 ,
InChIKey VKUXVDUAEAQCSK-VMPITWQZNA-N
InChICode InChI=1S/C31H40O16/c1-41-19-7-4-16(11-18(19)35)9-10-43-30-27(40)29(47-31-26(39)25(38)24(37)21(13-32)44-31)28(22(14-33)45-30)46-23(36)8-5-15-3-6-17(34)20(12-15)42-2/h3-8,11-12,21-22,24-35,37-40H,9-10,13-14H2,1-2H3/b8-5+/t21-,22-,24-,25+,26-,27-,28+,29-,30-,31-/m1/s1
SMILES COc1ccc(CCOC2OC(CO)C(OC(=O)/C=C/c3ccc(O)c(OC)c3)C(OC3OC(CO)C(O)C(O)C3O)C2O)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaePicrorhiza scrophulariiflora Ref.
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OrganismPicrorhiza scrophulariiflora
ReferenceWang,Chem.Pharm.Bull.,52,(2004),615