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(Q77310296)
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English
2,3,10,11-tetrahydropyrenophorol
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
5,13-Dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadecane-2,10-dione
1 reference
based on heuristic
inferred from SMILES
mass
316.188588616
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₈O₆
0 references
canonical SMILES
O=C1OC(C)CCC(O)CCC(=O)OC(C)CCC(O)CC1
0 references
isomeric SMILES
C[C@@H]1CC[C@@H](CCC(=O)O[C@@H](CC[C@@H](CCC(=O)O1)O)C)O
0 references
found in taxon
Phoma
1 reference
stated in
Secondary Metabolites Isolated from an EndophyticPhoma sp. – Absolute Configuration of Tetrahydropyrenophorol Using the Solid-State TDDFT CD Methodology
Identifiers
InChI
InChI=1S/C16H28O6/c1-11-3-5-13(17)8-10-16(20)22-12(2)4-6-14(18)7-9-15(19)21-11/h11-14,17-18H,3-10H2,1-2H3/t11-,12-,13+,14+/m1/s1
0 references
InChIKey
XEOQWLXPGVNNSZ-MQYQWHSLSA-N
2 references
stated in
PubChem
PubChem CID
23630983
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
23630983
language of work or name
English
PubChem CID
23630983
2 references
stated in
PubChem
PubChem CID
23630983
language of work or name
English
matched by identifier from
InChIKey
InChIKey
XEOQWLXPGVNNSZ-MQYQWHSLSA-N
ChEBI ID
201613
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H28O6/c1-11-3-5-13(17)8-10-16(20)22-12(2)4-6-14(18)7-9-15(19)21-11/h11-14,17-18H,3-10H2,1-2H3/t11-,12-,13+,14+/m1/s1
UniChem compound ID
32926242
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA004462
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XEOQWLXPGVNNSZ-MQYQWHSLSA-N
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