input word = C00013263

Metabolite InformationStructural formula
Name Apocynin A
(2R,3S,10S)-10-(3,4-Dihydroxyphenyl)-3,4,9,10-tetrahydro-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one
Formula C24H20O10
Mw 468.10564686
CAS RN 246152-21-6
C_ID C00013263 ,
InChIKey WHASVNKXAVKAJA-XFUPBTSTNA-N
InChICode InChI=1S/C24H20O10/c25-13-2-1-9(3-15(13)27)11-7-20(31)33-19-8-14(26)12-6-18(30)23(34-24(12)21(11)19)10-4-16(28)22(32)17(29)5-10/h1-5,8,11,18,23,25-30,32H,6-7H2/t11-,18-,23+/m0/s1
SMILES O=C1C[C@@H](c2ccc(O)c(O)c2)c2c(cc(O)c3c2O[C@H](c2cc(O)c(O)c(O)c2)[C@@H](O)C3)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeApocynum venetum Ref.
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