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 c1c(cc(c(c1)O)OC)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)CO[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)c(cc(c2OC)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeColeogyne ramosissima Ref.
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OrganismColeogyne ramosissima
ReferenceIto,Phytochem.,54,(2000),695