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English
Herbarumin-II
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
3,4,9-Trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one
1 reference
based on heuristic
inferred from SMILES
mass
244.13107374
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Kqjgpghqddzvhj-zfocbllksa-
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Epi-Herbarumin II
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₂₀O₅
0 references
canonical SMILES
O=C1OC(CCC)C(O)C(O)C=CCCC1O
0 references
isomeric SMILES
CCC[C@@H]1[C@H]([C@H](/C=C\CC[C@H](C(=O)O1)O)O)O
0 references
found in taxon
Phoma herbarum
3 references
stated in
Conformational Behavior and Absolute Stereostructure of Two Phytotoxic Nonenolides from the Fungus Phoma herbarum
stated in
A new phytotoxic nonenolide from Phoma herbarum
stated in
Conformational Behavior and Absolute Stereostructure of Two Phytotoxic Nonenolides from the Fungus Phoma herbarum
Identifiers
InChI
InChI=1S/C12H20O5/c1-2-5-10-11(15)8(13)6-3-4-7-9(14)12(16)17-10/h3,6,8-11,13-15H,2,4-5,7H2,1H3/b6-3-/t8-,9+,10+,11-/m0/s1
0 references
InChIKey
KQJGPGHQDDZVHJ-CJXQFTKGSA-N
2 references
stated in
PubChem
PubChem CID
101048043
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
101048043
language of work or name
English
PubChem CID
101048043
2 references
stated in
PubChem
PubChem CID
101048043
language of work or name
English
matched by identifier from
InChIKey
InChIKey
KQJGPGHQDDZVHJ-CJXQFTKGSA-N
ChEBI ID
208950
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H20O5/c1-2-5-10-11(15)8(13)6-3-4-7-9(14)12(16)17-10/h3,6,8-11,13-15H,2,4-5,7H2,1H3/b6-3-/t8-,9+,10+,11-/m0/s1
UniChem compound ID
96568420
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA009488
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KQJGPGHQDDZVHJ-CJXQFTKGSA-N
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