input word = C00013857

Metabolite InformationStructural formula
Name Helieianeoside C
Quercetin 3-xylosyl-(1->4)-[xylosyl-(1->6)-glucosyl-(1->2)-rhamnoside]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[(O-beta-D-xylopyranosyl-(1->6)-O-beta-D-glucopyranosyl-(1->2)-O-[beta-D-xylopyranosyl-(1->4)]-6-deoxy-alpha-L-mannopyranosyl)oxy]-4H-1-benzopyran-4-one
Formula C37H46O24
Mw 874.2379024
CAS RN 496066-90-1
C_ID C00013857 ,
InChIKey QXIJGBONMUSOEG-BGVJSRNXNA-N
InChICode InChI=1S/C37H46O24/c1-10-30(59-35-27(50)22(45)17(43)8-54-35)29(52)33(61-36-28(51)25(48)23(46)19(58-36)9-55-34-26(49)21(44)16(42)7-53-34)37(56-10)60-32-24(47)20-15(41)5-12(38)6-18(20)57-31(32)11-2-3-13(39)14(40)4-11/h2-6,10,16-17,19,21-23,25-30,33-46,48-52H,7-9H2,1H3/t10-,16+,17-,19+,21+,22-,23+,25-,26+,27-,28+,29+,30-,33-,34-,35-,36-,37-/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)C)O[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeProteaceaeHelicia nilagirica Ref.
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