input word = C00006195

Metabolite InformationStructural formula
Name Isoorientin 7-O-xyloside
Formula C26H28O15
Mw 580.14282023
CAS RN 152231-10-2
C_ID C00006195 ,
InChIKey ULWMURRUKFUJTH-ZJHPIMELNA-N
InChICode InChI=1S/C26H28O15/c27-6-16-20(33)22(35)23(36)25(40-16)18-15(41-26-24(37)19(32)12(31)7-38-26)5-14-17(21(18)34)11(30)4-13(39-14)8-1-2-9(28)10(29)3-8/h1-5,12,16,19-20,22-29,31-37H,6-7H2/t12-,16+,19+,20-,22+,23-,24+,25+,26+/m1/s1
SMILES O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3OC[C@@H](O)[C@H](O)C3O)c([C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVelloziaceaeVellozia glabra Ref.
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