input word = C00033469

Metabolite InformationStructural formula
Name Verpectoside C
(+)-Verpectoside C
Formula C36H48O20
Mw 800.27389398
CAS RN 448963-65-3
C_ID C00033469 ,
InChIKey NBHIDBXUVKQYCJ-DEQDLCNINA-N
InChICode InChI=1S/C36H48O20/c1-15-25(43)27(45)29(47)34(51-15)55-32-31(54-24(42)8-5-16-4-7-19(40)21(12-16)49-2)23(14-38)53-36(50-10-9-17-3-6-18(39)20(41)11-17)33(32)56-35-30(48)28(46)26(44)22(13-37)52-35/h3-8,11-12,15,22-23,25-41,43-48H,9-10,13-14H2,1-2H3/b8-5+/t15-,22+,23+,25-,26-,27+,28-,29+,30+,31+,32-,33+,34-,35-,36+/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)OCCc1ccc(c(c1)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)OC(=O)/C=C/c1cc(c(cc1)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeVeronica pectinata var.glandulosa Ref.
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