input word = C00013752

Metabolite InformationStructural formula
Name Kaempferol 3-glucosyl-(1->2)-[glucosyl-(1->3)-rhamnoside]
3-[(O-beta-D-glucopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->3)]-6-deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C33H40O20
Mw 756.21129372
CAS RN 245036-86-6
C_ID C00013752 ,
InChIKey YSBRVZWBIMCUQV-SCFXBMAWNA-N
InChICode InChI=1S/C33H40O20/c1-10-19(39)28(51-31-25(45)23(43)20(40)16(8-34)49-31)30(53-32-26(46)24(44)21(41)17(9-35)50-32)33(47-10)52-29-22(42)18-14(38)6-13(37)7-15(18)48-27(29)11-2-4-12(36)5-3-11/h2-7,10,16-17,19-21,23-26,28,30-41,43-46H,8-9H2,1H3/t10-,16-,17+,19-,20+,21+,23-,24-,25+,26-,28+,30-,31-,32-,33-/m0/s1
SMILES CC1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@@H](O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeCrocus antalyensis Ref.
PlantaeIridaceaeCrocus speciosus Ref.
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