input word = C00004508

Metabolite InformationStructural formula
Name Diosmetin 7-neohesperidoside
Neodiosmin
7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
Formula C28H32O15
Mw 608.17412036
CAS RN 38665-01-9
C_ID C00004508 ,
InChIKey VCCNKWWXYVWTLT-DQVUYAMWNA-N
InChICode InChI=1S/C28H32O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-8,10,19,21-31,33-37H,9H2,1-2H3/t10-,19+,21+,22-,23+,24+,25-,26-,27+,28-/m1/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(c(c1)O)OC)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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus aurantium Ref.
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