input word = C00013974

Metabolite InformationStructural formula
Name Myricetin 7-(6''-galloylglucoside)
3,5-Dihydroxy-7-[[6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
Formula C28H24O17
Mw 632.10134934
CAS RN 231289-26-2
C_ID C00013974 ,
InChIKey MZDFJFBTVPXCAQ-OCTSEYIENA-N
InChICode InChI=1S/C28H24O17/c29-11-5-10(6-16-18(11)22(37)24(39)26(44-16)8-1-12(30)19(34)13(31)2-8)43-28-25(40)23(38)21(36)17(45-28)7-42-27(41)9-3-14(32)20(35)15(33)4-9/h1-6,17,21,23,25,28-36,38-40H,7H2/t17-,21-,23+,25-,28-/m1/s1
SMILES O=C(OCC1O[C@@H](Oc2cc(O)c3c(=O)c(O)c(-c4cc(O)c(O)c(O)c4)oc3c2)C(O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia farnesiana Ref.
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