input word = C00035663

Metabolite InformationStructural formula
Name Isoinnovanoside
Formula C21H22O10
Mw 434.12129692
CAS RN 28876-18-8
C_ID C00035663 ,
InChIKey VBXLXFFUIGVIKE-XUVZOPABNA-N
InChICode InChI=1S/C21H22O10/c1-11-20(14(23)8-9-28-11)31-21-19(27)18(26)17(25)15(30-21)10-29-16(24)7-4-12-2-5-13(22)6-3-12/h2-9,15,17-19,21-22,25-27H,10H2,1H3/b7-4+/t15-,17-,18+,19-,21+/m1/s1
SMILES Cc1occc(=O)c1O[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSmilacaceaeSmilax bockii Ref.
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OrganismSmilax bockii
ReferenceGuo,Phytochem.,65,(2004),481