input word = C00013961

Metabolite InformationStructural formula
Name Limocitrin 3-rutinoside-7-glucoside
Gossypetin 8,3'-dimethyl ether 3-rutinoside-7-glucoside
3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4H-1-benzopyran-4-one
Formula C35H44O22
Mw 816.23242309
CAS RN 301647-86-9
C_ID C00013961 ,
InChIKey ZYMWMZFDSLSZLA-OUWATZLANA-N
InChICode InChI=1S/C35H44O22/c1-10-19(39)23(43)26(46)33(52-10)51-9-17-21(41)25(45)28(48)35(55-17)57-32-22(42)18-13(38)7-15(53-34-27(47)24(44)20(40)16(8-36)54-34)30(50-3)31(18)56-29(32)11-4-5-12(37)14(6-11)49-2/h4-7,10,16-17,19-21,23-28,33-41,43-48H,8-9H2,1-3H3/t10-,16-,17+,19-,20-,21-,23+,24-,25-,26-,27+,28-,33+,34+,35-/m0/s1
SMILES COc1cc(-c2oc3c(OC)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O)[C@@H](O)[C@H](O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeColeogyne ramosissima Ref.
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