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(Q76003149)
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Austidiol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Austdiol
1 reference
based on heuristic
inferred from SMILES
mass
236.068473484
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(7S,8R)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8H-isochromene-5-carbaldehyde
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₂O₅
0 references
canonical SMILES
O=CC=1C(=O)C(O)(C)C(O)C2=COC(=CC12)C
0 references
isomeric SMILES
CC1=CC2=C(C(=O)[C@]([C@H](C2=CO1)O)(C)O)C=O
0 references
found in taxon
Mycoleptodiscus indicus
3 references
stated in
Mycoleptones A–C and Polyketides from the Endophyte Mycoleptodiscus indicus
stated in
Mycoleptones A–C and Polyketides from the Endophyte Mycoleptodiscus indicus
stated in
Mycoleptones A–C and Polyketides from the Endophyte Mycoleptodiscus indicus
Aspergillus ustus
2 references
stated in
Biosynthesis of austdiol and synthesis of a deuterium labelled biogenetic precursor
stated in
Evidence for a mono-oxygenase mechanism in the biosynthesis of austdiol
Penicillium aurantiogriseum
1 reference
stated in
Constitution and absolute configuration of austdiol, the main toxic metabolite from Aspergillus ustus
Penicillium viridicatum
1 reference
stated in
Constitution and absolute configuration of austdiol, the main toxic metabolite from Aspergillus ustus
Muyocopron sahnii
1 reference
stated in
Mycoleptones A–C and Polyketides from the Endophyte Mycoleptodiscus indicus
Identifiers
InChI
InChI=1S/C12H12O5/c1-6-3-7-8(4-13)10(14)12(2,16)11(15)9(7)5-17-6/h3-5,11,15-16H,1-2H3/t11-,12-/m0/s1
0 references
InChIKey
QVMUHZHZYCDMAI-RYUDHWBXSA-N
0 references
CAS Registry Number
53043-28-0
1 reference
InChIKey
QVMUHZHZYCDMAI-RYUDHWBXSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=53043-28-0
PubChem CID
40604
1 reference
matched by identifier from
InChIKey
InChIKey
QVMUHZHZYCDMAI-RYUDHWBXSA-N
ChEBI ID
174211
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H12O5/c1-6-3-7-8(4-13)10(14)12(2,16)11(15)9(7)5-17-6/h3-5,11,15-16H,1-2H3/t11-,12-/m0/s1
UniChem compound ID
10565621
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70201087
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
QVMUHZHZYCDMAI-RYUDHWBXSA-N
DSSTOX compound identifier
DTXCID70123578
0 references
NSC number
159632
0 references
KNApSAcK ID
C00052851
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QVMUHZHZYCDMAI-RYUDHWBXSA-N
UNII
3348BWJ4V7
1 reference
matched by identifier from
InChIKey
InChIKey
QVMUHZHZYCDMAI-RYUDHWBXSA-N
Natural Product Atlas ID
NPA003823
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QVMUHZHZYCDMAI-RYUDHWBXSA-N
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