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Sanguiin h11

C41H28O27 952.6 g/mol
O H O O O H O H O O H H O H O O H O H O H O O H O O O O O O H O H O H O H O H O H O O
Name Sanguiin h11
Alternative name Ellagic acid 4-O-xylopyranoside
Formula C41H28O27
Formula Weight 952.60 g/mol
Molecular Weight 952.60 g/mol
Monoisotopic Mass 952.082000 g/mol
InChI Key KGFYOSJVKULAKR-UHFFFAOYSA-N
IUPAC 3,4-dihydroxy-5-[(7,8,9,12,13,14,20,28,29,30,33,34,35-tridecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32(37),33,35-dodecaen-36-yl)oxy]benzoic acid
InChI InChI=1S/C41H28O27/c42-11-1-7(36(56)57)2-15(22(11)46)64-33-21-20(29(53)30(54)31(33)55)19-8(3-12(43)25(49)28(19)52)37(58)63-6-16-32(66-40(21)61)34-35(41(62)65-16)68-39(60)10-5-14(45)24(48)27(51)18(10)17-9(38(59)67-34)4-13(44)23(47)26(17)50/h1-5,16,32,34-35,41-55,62H,6H2,(H,56,57)
SMILES OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C(OC4=CC(=CC(O)=C4O)C(O)=O)=C3C(=O)OC2C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC12
Food Berry, 
Food Source Strawberry, 
Family Phenolic
Class Tannin
Subclass Group Hydrolizable tannin
Subclass Ellagitannin
Metabolite Valerolactone metabolite
CASNO 96292-46-5
HMDB HMDB0039260
PubChem 85368941
KEGG C03582
FooDB FDB018799
DrugBank DB02709
ChEBI 45713
BioCyc CPD-83
METLIN 7044.0