input word = C00013790

Metabolite InformationStructural formula
Name Kaempferol 3-(2'',3''-diacetylrhamnoside)-7-rhamnoside
Crassirhizomoside C
7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-3-[(2,3-di-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C31H34O16
Mw 662.18468504
CAS RN 349654-87-1
C_ID C00013790 ,
InChIKey FRCCTBPYYAMKIB-XXFAVXRJNA-N
InChICode InChI=1S/C31H34O16/c1-11-21(36)24(39)25(40)30(41-11)45-17-9-18(35)20-19(10-17)46-26(15-5-7-16(34)8-6-15)28(23(20)38)47-31-29(44-14(4)33)27(43-13(3)32)22(37)12(2)42-31/h5-12,21-22,24-25,27,29-31,34-37,39-40H,1-4H3/t11-,12-,21-,22-,24+,25-,27+,29-,30-,31-/m0/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)OC(=O)C)OC(=O)C)c(cc(c2)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDryopteridaceaeDryopteris crassirhizoma Ref.
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OrganismDryopteris crassirhizoma
ReferenceMin,Chem.Pharm.Bull.,49,(2001),546