input word = C00013968

Metabolite InformationStructural formula
Name Myricetin 3-glucosyl-(1->2)-rhamnoside-7-glucoside
3-[(6-Deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
Formula C33H40O22
Mw 788.20112297
CAS RN 245036-43-5
C_ID C00013968 ,
InChIKey AGCJXRMKEHRGIH-DENHDQGINA-N
InChICode InChI=1S/C33H40O22/c1-8-18(39)25(46)30(55-32-27(48)24(45)21(42)16(7-35)53-32)33(49-8)54-29-22(43)17-11(36)4-10(50-31-26(47)23(44)20(41)15(6-34)52-31)5-14(17)51-28(29)9-2-12(37)19(40)13(38)3-9/h2-5,8,15-16,18,20-21,23-27,30-42,44-48H,6-7H2,1H3/t8-,15-,16-,18-,20+,21+,23-,24-,25+,26-,27+,30-,31+,32-,33-/m0/s1
SMILES CC1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c2=O)[C@@H](O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeCrocus chrysanthus Ref.
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OrganismCrocus chrysanthus
ReferenceNorback,Phytochem.,51,(1999),1119