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(Q105125742)
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Ocholignan A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-(7-Hydroxy-6,8-dimethoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methoxybenzene-1,2-diol
1 reference
based on heuristic
inferred from SMILES
mass
374.172938552
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Ocholignan B
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₆O₆
0 references
canonical SMILES
OC=1C=C(C=C(OC)C1O)C2C3=C(OC)C(O)=C(OC)C=C3CC(C)C2C
0 references
isomeric SMILES
COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](C)[C@H]2C)cc(O)c1O
0 references
found in taxon
Scyphocephalium mannii
1 reference
stated in
Cyclolignans from Scyphocephalium ochocoa via high-throughput natural product chemistry methods
Identifiers
InChI
InChI=1S/C21H26O6/c1-10-6-12-8-16(26-4)20(24)21(27-5)18(12)17(11(10)2)13-7-14(22)19(23)15(9-13)25-3/h7-11,17,22-24H,6H2,1-5H3/t10-,11-,17-/m1/s1
0 references
InChIKey
JDTLASIBQWZXNQ-CZIZLABSSA-N
0 references
PubChem CID
11773222
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
34309898
1 reference
stated in
UniChem
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