input word = C00033906

Metabolite InformationStructural formula
Name Helonioside A
Formula C32H38O17
Mw 694.21089979
CAS RN 107647-20-1
C_ID C00033906 ,
InChIKey ZPIDHNQIWCJXAS-QCIRWROONA-N
InChICode InChI=1S/C32H38O17/c1-43-20-11-16(3-7-18(20)35)5-9-24(37)45-14-23-27(40)30(47-25(38)10-6-17-4-8-19(36)21(12-17)44-2)32(15-34,48-23)49-31-29(42)28(41)26(39)22(13-33)46-31/h3-12,22-23,26-31,33-36,39-42H,13-15H2,1-2H3/b9-5+,10-6+/t22-,23-,26-,27-,28+,29-,30+,31-,32+/m1/s1
SMILES [C@H]1([C@H]([C@@H]([C@@](O1)(O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CO)OC(=O)/C=C/c1cc(c(cc1)O)OC)O)COC(=O)/C=C/c1ccc(c(c1)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSmilacaceaeSmilax bracteata Ref.
PlantaeSmilacaceaeSmilax china Ref.
PlantaeSmilacaceaeSmilax glabra Ref.
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OrganismSmilax bracteata
ReferenceZhang,Phytochem.,69,(2008),1398