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Galloyl-hhdp-hexose-hhdp

C41H26O26 934.6 g/mol
H O O O O H O H H O O H O H O H O H O H O H O O O O H O H O H O O H H O H O O O O O
Name Galloyl-hhdp-hexose-hhdp
Alternative name castalagin,vescalagin
Formula C41H26O26
Formula Weight 934.60 g/mol
Molecular Weight 934.60 g/mol
Monoisotopic Mass 934.071000 g/mol
InChI Key UDYKDZHZAKSYCO-JLQXGYSZSA-N
IUPAC (1R,2R,20R,42S,46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
InChI InChI=1S/C41H26O26/c42-8-1-5-12(24(48)21(8)45)13-6(2-9(43)22(46)25(13)49)39(60)65-34-11(4-63-37(5)58)64-38(59)7-3-10(44)23(47)26(50)14(7)15-18-16(28(52)32(56)27(15)51)17-19-20(30(54)33(57)29(17)53)31(55)35(66-41(19)62)36(34)67-40(18)61/h1-3,11,31,34-36,42-57H,4H2
SMILES OC1C2OC(=O)C3=C(C(O)=C(O)C(O)=C13)C1=C3C(=C(O)C(O)=C1O)C1=C(C=C(O)C(O)=C1O)C(=O)OC1COC(=O)C4=C(C(O)=C(O)C(O)=C4)C4=C(C=C(O)C(O)=C4O)C(=O)OC1C2OC3=O
Food Berry, 
Food Source Strawberry, 
Family Phenolic
Class Tannin
Subclass Group Hydrolizable tannin
Subclass Gallotannin
Metabolite Valerolactone metabolite
CASNO 36001-47-5
HMDB HMDB0030602
PubChem 12302513
KEGG C03582
FooDB FDB018931
DrugBank DB02709
ChEBI 704619
BioCyc CPD-83
METLIN 7044.0