input word = C00005564

Metabolite InformationStructural formula
Name Isorhamnetin 4'-neohesperidoside
Crosatoside A
Quercetin 3'-methyl ether 4'-rhamnosyl-(1->2)-glucoside
Formula C28H32O16
Mw 624.16903498
CAS RN 139742-27-1
C_ID C00005564 ,
InChIKey KBVVGMZQNYSITN-KLVUPLGPNA-N
InChICode InChI=1S/C28H32O16/c1-9-18(32)21(35)24(38)27(40-9)44-26-22(36)19(33)16(8-29)43-28(26)42-13-4-3-10(5-14(13)39-2)25-23(37)20(34)17-12(31)6-11(30)7-15(17)41-25/h3-7,9,16,18-19,21-22,24,26-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21+,22-,24-,26+,27-,28+/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OC)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeCrocus sativus Ref.
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