input word = C00013928

Metabolite InformationStructural formula
Name Quercetin 3,7-dimethyl ether 3'-neohesperidoside
2-[3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-4-hydroxyphenyl]-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one
Formula C29H34O16
Mw 638.18468504
CAS RN 209532-52-5
C_ID C00013928 ,
InChIKey JMYHMBLOVKCMOT-DBLQDEGKNA-N
InChICode InChI=1S/C29H34O16/c1-10-19(33)22(36)24(38)28(41-10)45-27-23(37)20(34)17(9-30)44-29(27)43-15-6-11(4-5-13(15)31)25-26(40-3)21(35)18-14(32)7-12(39-2)8-16(18)42-25/h4-8,10,17,19-20,22-24,27-34,36-38H,9H2,1-3H3/t10-,17+,19-,20-,22+,23-,24-,27+,28-,29+/m0/s1
SMILES COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O[C@@H]4OC(C)[C@H](O)C(O)[C@@H]4O)c3)oc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeDasymaschalon sootepense Ref.
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