CHEBI:136605 - Epigallocatechin 3,5-Digallate

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ChEBI Name Epigallocatechin 3,5-Digallate
ChEBI ID CHEBI:136605
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H22O15
Net Charge 0
Average Mass 610.477
Monoisotopic Mass 610.09587
InChI InChI=1S/C29H22O15/c30-13-7-21-14(22(8-13)43-28(40)11-3-17(33)25(38)18(34)4-11)9-23(27(42-21)10-1-15(31)24(37)16(32)2-10)44-29(41)12-5-19(35)26(39)20(36)6-12/h1-8,23,27,30-39H,9H2/t23-,27-/m1/s1
InChIKey RKUDRJTZBDEGNP-YIXXDRMTSA-N
SMILES C1[C@H]([C@H](OC2=CC(=CC(=C21)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O
ChEBI Ontology
Outgoing Epigallocatechin 3,5-Digallate (CHEBI:136605) is a catechin (CHEBI:23053)
Manual Xref Database
HMDB0038364 HMDB
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Last Modified
21 March 2017