input word = C00013894

Metabolite InformationStructural formula
Name Capilliposide I
Quercetin 3-rhamnosyl-(1->2)-[glucosyl-(1->3)-(4'''-p-coumaroylrhamnosyl)-(1->6)-galactoside]
3-[[O-beta-D-glucopyranosyl-(1->3)-O-6-deoxy-4-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-mannopyranosyl-(1->6)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->2)]-beta-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
Formula C48H56O27
Mw 1064.30089659
CAS RN 479199-50-3
C_ID C00013894 ,
InChIKey ZQUFMHSKBPNSKQ-RSYQKPSKNA-N
InChICode InChI=1S/C48H56O27/c1-16-30(56)34(60)37(63)46(67-16)75-44-36(62)32(58)27(71-48(44)74-42-33(59)29-24(54)12-21(51)13-25(29)69-41(42)19-6-9-22(52)23(53)11-19)15-66-45-39(65)43(73-47-38(64)35(61)31(57)26(14-49)70-47)40(17(2)68-45)72-28(55)10-5-18-3-7-20(50)8-4-18/h3-13,16-17,26-27,30-32,34-40,43-54,56-58,60-65H,14-15H2,1-2H3/b10-5+/t16-,17-,26-,27+,30-,31+,32-,34+,35-,36-,37-,38+,39-,40-,43+,44-,45+,46-,47-,48-/m0/s1
SMILES c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)OC(=O)/C=C/c1ccc(cc1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O)O)O)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrsinaceaeLysimachia capillipes Ref.
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