input word = C00013271

Metabolite InformationStructural formula
Name Epimesquitol-(4beta->4)-epioritin-4beta-ol
(2R,3R,4S)-4-[[(2R,3R,4S)-3,4-Dihydro-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl]oxy]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,7,8-triol
Formula C30H26O12
Mw 578.1424263
CAS RN 273398-96-2
C_ID C00013271 ,
InChIKey JKYOAXJUOXSWNA-PRCZNZLMNA-N
InChICode InChI=1S/C30H26O12/c31-14-4-1-12(2-5-14)25-23(38)29(15-6-9-18(33)21(36)27(15)40-25)42-30-16-7-10-19(34)22(37)28(16)41-26(24(30)39)13-3-8-17(32)20(35)11-13/h1-11,23-26,29-39H/t23-,24-,25+,26-,29-,30-/m0/s1
SMILES [C@@H]1(Oc2c([C@@H]([C@H]1O)O[C@@H]1[C@H]([C@@H](Oc3c1ccc(c3O)O)c1ccc(c(c1)O)O)O)ccc(c2O)O)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia caffra Ref.
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