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 c1c(cc(c(c1)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)c1oc2c(c(=O)c1OC)c(cc(c2)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeDasymaschalon sootepense Ref.
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