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(Q100146266)
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English
Castacrenin A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
614.054399116
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₁₈O₁₇
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C1OC=2C(O)=C(O)C(=C3C(=O)OC4=C(O)C(O)=CC1=C4C23)C=5C(O)=C(O)C(O)=C6C5C(=O)OC7C(O)C(OC67)C(O)CO
0 references
found in taxon
Castanea sativa
1 reference
stated in
Chestnut (Castanea sativa Miller.) Burs Extracts and Functional Compounds: UHPLC-UV-HRMS Profiling, Antioxidant Activity, and Inhibitory Effects on Phytopathogenic Fungi
Identifiers
InChI
InChI=1S/C27H18O17/c28-2-5(30)20-19(37)24-23(41-20)12-11(27(40)44-24)8(14(32)17(35)16(12)34)7-10-9-6-3(25(38)42-22(9)18(36)15(7)33)1-4(29)13(31)21(6)43-26(10)39/h1,5,19-20,23-24,28-37H,2H2
0 references
InChIKey
ORHDVCFHUVVLAU-UHFFFAOYSA-N
0 references
CAS Registry Number
173429-79-3
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
85270241
1 reference
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
ChEBI ID
168267
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C27H18O17/c28-2-5(30)20-19(37)24-23(41-20)12-11(27(40)44-24)8(14(32)17(35)16(12)34)7-10-9-6-3(25(38)42-22(9)18(36)15(7)33)1-4(29)13(31)21(6)43-26(10)39/h1,5,19-20,23-24,28-37H,2H2
UniChem compound ID
32007389
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0030625
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ORHDVCFHUVVLAU-UHFFFAOYSA-N
KNApSAcK ID
C00055355
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ORHDVCFHUVVLAU-UHFFFAOYSA-N
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