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(Q77570804)
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English
Herbarumin I
bioactive natural product
In more languages
default values for all languages
No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
3,4-Dihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one
1 reference
based on heuristic
inferred from SMILES
mass
228.13615912
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Stagonolide J
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Izfxfvsoqmezkb-mnfmdyebsa-
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₂H₂₀O₄
0 references
canonical SMILES
O=C1OC(CCC)C(O)C(O)C=CCCC1
0 references
isomeric SMILES
CCC[C@@H]1[C@H]([C@H](/C=C\CCCC(=O)O1)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/C12H20O4/c1-2-6-10-12(15)9(13)7-4-3-5-8-11(14)16-10/h4,7,9-10,12-13,15H,2-3,5-6,8H2,1H3/b7-4-/t9-,10+,12-/m0/s1
0 references
InChIKey
IZFXFVSOQMEZKB-RVUUCJLMSA-N
2 references
stated in
PubChem
PubChem CID
101048042
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
101048042
language of work or name
English
PubChem CID
101048042
2 references
stated in
PubChem
PubChem CID
101048042
language of work or name
English
matched by identifier from
InChIKey
InChIKey
IZFXFVSOQMEZKB-RVUUCJLMSA-N
ChEBI ID
222000
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H20O4/c1-2-6-10-12(15)9(13)7-4-3-5-8-11(14)16-10/h4,7,9-10,12-13,15H,2-3,5-6,8H2,1H3/b7-4-/t9-,10+,12-/m0/s1
UniChem compound ID
96905133
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA016338
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IZFXFVSOQMEZKB-RVUUCJLMSA-N
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