input word = C00060737

Metabolite InformationStructural formula
Name Neohesperidine dihydrochalcone
Formula C28H36O15
Mw 612.20542048
CAS RN 20702-77-6
C_ID C00060737
InChIKey ITVGXXMINPYUHD-CUVHLRMHSA-N
InChICode InChI=1S/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
SMILES COc1ccc(CCC(=O)c2c(O)cc(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)cc2O)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeVicia faba Ref.
PlantaeRutaceaeCitrus reticulata Ref.
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