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(Q105386012)
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English
Epigallocatechin-(4beta->8)-catechin
group of stereoisomers with the chemical formula C₃₀H₂₆O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
(4->8)-proanthocyanidin
1 reference
inferred from
(4->8)-proanthocyanidin
8C-substituted flavan
1 reference
inferred from
8C-substituted flavan
4C-substituted flavan
1 reference
inferred from
4C-substituted flavan
mass
594.137340892
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₂₆O₁₃
0 references
canonical SMILES
OC=1C=C(O)C2=C(OC(C3=CC(O)=C(O)C(O)=C3)C(O)C2C=4C(O)=CC(O)=C5C4OC(C6=CC=C(O)C(O)=C6)C(O)C5)C1
0 references
found in taxon
Lotus pedunculatus
1 reference
stated in
Proanthocyanidins from Lotus pedunculatus
Rhododendron
1 reference
stated in
Identification and characterization of proanthocyanidins of 16 members of the Rhododendron genus (Ericaceae) by tandem LC-MS.
Lotus uliginosus
1 reference
stated in
Proanthocyanidins from Lotus pedunculatus
Identifiers
InChI
InChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(11-4-19(37)26(40)20(38)5-11)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)10-1-2-14(32)16(34)3-10/h1-7,9,21,25,27-29,31-41H,8H2
0 references
InChIKey
ZYDDITZPGFXQSD-UHFFFAOYSA-N
0 references
PubChem CID
13831061
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZYDDITZPGFXQSD-UHFFFAOYSA-N
ChEBI ID
169487
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(11-4-19(37)26(40)20(38)5-11)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)10-1-2-14(32)16(34)3-10/h1-7,9,21,25,27-29,31-41H,8H2
UniChem compound ID
32001876
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0037651
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZYDDITZPGFXQSD-UHFFFAOYSA-N
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