input word = C00062301

Metabolite InformationStructural formula
Name 2-[6-[2-(3-Ethyl-4-hydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]oxy-6-methyloxane-3,4,5-triol
Formula C27H31O16
Mw 611.16120995
CAS RN 58285-26-0
C_ID C00062301
InChIKey PLKUTZNSKRWCCA-LTSKFBHWSA-O
InChICode InChI=1S/C28H32O14/c1-3-11-6-12(4-5-15(11)30)25-18(9-14-16(31)7-13(29)8-17(14)39-25)40-27-23(36)21(34)24(37)28(42-27)41-26-22(35)20(33)19(32)10(2)38-26/h4-10,19-24,26-28,32-37H,3H2,1-2H3,(H2-,29,30,31)/p+1
SMILES CCc1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC2OC(OC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum Ref.
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OrganismCapsicum annuum
Referencehttps://doi.org/10.1016/j.foodchem.2019.125629