input word = C00049671

Metabolite InformationStructural formula
Name Sibiricose A4
(+)-Sibiricose A4
Formula C34H42O19
Mw 754.23202916
CAS RN 241125-73-5
C_ID C00049671 ,
InChIKey HDKAQDYJCHFCIH-LFVJSOTGNA-N
InChICode InChI=1S/C34H42O19/c1-45-18-9-16(10-19(46-2)26(18)40)5-7-24(38)50-31-23(14-36)49-33(30(44)29(31)43)53-34(15-37)32(28(42)22(13-35)52-34)51-25(39)8-6-17-11-20(47-3)27(41)21(12-17)48-4/h5-12,22-23,28-33,35-37,40-44H,13-15H2,1-4H3/b7-5+,8-6+/t22-,23-,28-,29-,30-,31-,32+,33-,34+/m1/s1
SMILES COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3OC(=O)/C=C/c3cc(OC)c(O)c(OC)c3)O[C@@H]2CO)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala sibirica Ref.
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