input word = C00014010

Metabolite InformationStructural formula
Name 2'-C-Methylmyricetin 3-rhamnoside-5'-gallate
5-[3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl]-2,3-dihydroxy-4-methylphenyl ester 3,4,5-trihydroxy-benzoic acid
Formula C29H26O16
Mw 630.12208479
CAS RN 244137-68-6
C_ID C00014010 ,
InChIKey UETPEBBTEWIQAH-MFNXIXMPNA-N
InChICode InChI=1S/C29H26O16/c1-8-12(7-17(22(37)19(8)34)44-28(41)10-3-14(32)21(36)15(33)4-10)26-27(45-29-25(40)24(39)20(35)9(2)42-29)23(38)18-13(31)5-11(30)6-16(18)43-26/h3-7,9,20,24-25,29-37,39-40H,1-2H3/t9-,20-,24+,25-,29-/m0/s1
SMILES c1(c(cc(c(c1O)O)OC(=O)c1cc(c(c(c1)O)O)O)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)c(cc(c2)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeSyzygium samarangense Ref.
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OrganismSyzygium samarangense
ReferenceNair,Fitoterapia,70,(1999),148