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(Q83073300)
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English
Collatolic acid-A''
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
depsidone
0 references
mass
526.220282668
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₃₄O₉
0 references
canonical SMILES
CCCCCC(=O)CC1=C2C(=CC(=C1)OC)OC3=C(C=C(C(=C3CC(=O)CCCCC)C(=O)O)O)OC2=O
0 references
found in taxon
Asahinea chrysantha
1 reference
stated in
Chemical variations of asahinea chrysantha
Asahinea scholanderi
2 references
stated in
Aromatic metabolites of lichens of the family Parmeliaceae. I. Depsidones
stated in
Anthraquinones of the lichenAsahinea chrysantha
Parmelia birulae
1 reference
stated in
Aromatic metabolites of lichens of the family Parmeliaceae. I. Depsidones
Parmotrema nilgherrense
1 reference
stated in
Dehydrocollatolic Acid, a New Depsidone from the Lichen Parmotrema nilgherrense
Identifiers
InChI
InChI=1S/C29H34O9/c1-4-6-8-10-18(30)12-17-13-20(36-3)15-23-25(17)29(35)38-24-16-22(32)26(28(33)34)21(27(24)37-23)14-19(31)11-9-7-5-2/h13,15-16,32H,4-12,14H2,1-3H3,(H,33,34)
0 references
InChIKey
QLTNFHFQLMFRBN-UHFFFAOYSA-N
0 references
CAS Registry Number
522-52-1
0 references
PubChem CID
10650
0 references
ChEBI ID
144111
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C29H34O9/c1-4-6-8-10-18(30)12-17-13-20(36-3)15-23-25(17)29(35)38-24-16-22(32)26(28(33)34)21(27(24)37-23)14-19(31)11-9-7-5-2/h13,15-16,32H,4-12,14H2,1-3H3,(H,33,34)
UniChem compound ID
27260963
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70200237
1 reference
matched by identifier from
InChIKey
InChIKey
QLTNFHFQLMFRBN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70122728
0 references
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