input word = C00005358

Metabolite InformationStructural formula
Name Sexangularetin 3-neohesperidoside
8-Methoxykaempferol 3-O-beta-D-(2''-O-alpha-L-rhamnopyranosyl)glucopyranoside
3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4H-1-benzopyran-4-one
Formula C28H32O16
Mw 624.16903498
CAS RN 151029-71-9
C_ID C00005358 ,
InChIKey RNVUYGCIXHSVLD-AONXWVQNNA-N
InChICode InChI=1S/C28H32O16/c1-9-16(33)19(36)21(38)27(40-9)44-26-20(37)17(34)14(8-29)41-28(26)43-25-18(35)15-12(31)7-13(32)23(39-2)24(15)42-22(25)10-3-5-11(30)6-4-10/h3-7,9,14,16-17,19-21,26-34,36-38H,8H2,1-2H3/t9-,14+,16-,17-,19-,20+,21-,26?,27-,28-/m0/s1
SMILES c1(cc(c2c(c1OC)oc(c(c2=O)O[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)CO)O)O)O[C@@H]1O[C@H]([C@@H]([C@@H]([C@@H]1O)O)O)C)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeCrataegus monogyna Ref.
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