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(Q105205543)
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English
arecatannin B1
group of stereoisomers with the chemical formula C₄₅H₃₈O₁₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
(4->8)-proanthocyanidin
1 reference
inferred from
(4->8)-proanthocyanidin
(4->6)-proanthocyanidin
1 reference
inferred from
(4->6)-proanthocyanidin
6C-substituted flavan
1 reference
inferred from
6C-substituted flavan
arecatannin
0 references
mass
866.2058143760006
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₅H₃₈O₁₈
0 references
canonical SMILES
OC=1C=C(O)C2=C(OC(C3=CC=C(O)C(O)=C3)C(O)C2C=4C(O)=CC(O)=C5C4OC(C6=CC=C(O)C(O)=C6)C(O)C5C7=C(O)C=C8OC(C9=CC=C(O)C(O)=C9)C(O)CC8=C7O)C1
0 references
found in taxon
Davallia bullata
1 reference
stated in
Constituents of a Fern, Davallia mariesii MOORE. III. Revised Structure and Absolute Configuration of Davallialactone.
Davallia mariesii
1 reference
stated in
Constituents of a Fern, Davallia mariesii MOORE. III. Revised Structure and Absolute Configuration of Davallialactone.
Davallia trichomanoides
1 reference
stated in
Constituents of a Fern, Davallia mariesii MOORE. III. Revised Structure and Absolute Configuration of Davallialactone.
Identifiers
InChI
InChI=1S/C45H38O18/c46-18-10-26(53)33-32(11-18)62-43(16-2-5-21(48)24(51)8-16)40(59)37(33)35-27(54)13-28(55)36-38(41(60)44(63-45(35)36)17-3-6-22(49)25(52)9-17)34-29(56)14-31-19(39(34)58)12-30(57)42(61-31)15-1-4-20(47)23(50)7-15/h1-11,13-14,30,37-38,40-44,46-60H,12H2
0 references
InChIKey
PBYRKMXDROOXMU-UHFFFAOYSA-N
0 references
PubChem CID
14237654
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PBYRKMXDROOXMU-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0303620
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PBYRKMXDROOXMU-UHFFFAOYSA-N
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