input word = C00006275

Metabolite InformationStructural formula
Name Isoswertisin 2''-O-glucoside
Formula C28H32O15
Mw 608.17412036
CAS RN 89701-83-7
C_ID C00006275 ,
InChIKey XSAFLFYGYGKUKQ-BGCVNJHRNA-N
InChICode InChI=1S/C28H32O15/c1-39-15-7-13(33)18-12(32)6-14(10-2-4-11(31)5-3-10)40-25(18)19(15)26-27(23(37)21(35)16(8-29)41-26)43-28-24(38)22(36)20(34)17(9-30)42-28/h2-7,16-17,20-24,26-31,33-38H,8-9H2,1H3/t16-,17+,20+,21+,22-,23-,24+,26-,27-,28-/m0/s1
SMILES c1(cc(c2c(c1[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)oc(cc2=O)c1ccc(cc1)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGnetaceaeGnetum africanum Ref.
PlantaeGnetaceaeGnetum buchholzianum Ref.
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