input word = C00013700

Metabolite InformationStructural formula
Name Hypolaetin 8-glucoside-3'-rutinoside
8-Hydroxyluteolin 8-glucoside-3'-rutinoside
2-[3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-4-hydroxyphenyl]-8-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
Formula C33H40O21
Mw 772.20620834
CAS RN 219135-83-8
C_ID C00013700 ,
InChIKey PZCFSPYXYBHPCV-PBTJYVCKNA-N
InChICode InChI=1S/C33H40O21/c1-9-20(39)23(42)26(45)31(49-9)48-8-18-22(41)25(44)27(46)32(53-18)51-16-4-10(2-3-11(16)35)15-6-13(37)19-12(36)5-14(38)29(30(19)50-15)54-33-28(47)24(43)21(40)17(7-34)52-33/h2-6,9,17-18,20-28,31-36,38-47H,7-8H2,1H3/t9-,17+,18+,20-,21+,22+,23-,24-,25+,26-,27+,28+,31+,32+,33-/m0/s1
SMILES c1c(cc(c(c1)O)O[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)c1oc2c(c(=O)c1)c(cc(c2O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeCornulaca monacantha Ref.
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OrganismCornulaca monacantha
ReferenceKandil,Orient.J.Chem.,14,(1998),215