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(Q104169064)
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Desacetylanguidine
group of stereoisomers with the chemical formula C₁₇H₂₄O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
trichothecane sesquiterpenoid
1 reference
inferred from
trichothecane sesquiterpenoid
mass
324.157288488
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₄O₆
0 references
canonical SMILES
O=C(OCC12CCC(=CC2OC3C(O)C(O)C1(C)C43OC4)C)C
0 references
found in taxon
Fusarium graminearum
1 reference
stated in
Monoacetoxyscirpenol. A new mycotoxin produced by Fusarium roseum Gibbosum
Fusarium roseum
1 reference
stated in
Isolierung von diacetoxyscirpenol aus Fusarium solani var. Coeruleum
Fusarium sulphureum
1 reference
stated in
Isolierung von diacetoxyscirpenol aus Fusarium solani var. Coeruleum
Fusarium sambucinum
1 reference
stated in
Isolierung von diacetoxyscirpenol aus Fusarium solani var. Coeruleum
Identifiers
InChI
InChI=1S/C17H24O6/c1-9-4-5-16(7-21-10(2)18)11(6-9)23-14-12(19)13(20)15(16,3)17(14)8-22-17/h6,11-14,19-20H,4-5,7-8H2,1-3H3
0 references
InChIKey
IRXDUBNENLKYTC-UHFFFAOYSA-N
0 references
PubChem CID
429922
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
IRXDUBNENLKYTC-UHFFFAOYSA-N
ChEBI ID
175144
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H24O6/c1-9-4-5-16(7-21-10(2)18)11(6-9)23-14-12(19)13(20)15(16,3)17(14)8-22-17/h6,11-14,19-20H,4-5,7-8H2,1-3H3
201482
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H24O6/c1-9-4-5-16(7-21-10(2)18)11(6-9)23-14-12(19)13(20)15(16,3)17(14)8-22-17/h6,11-14,19-20H,4-5,7-8H2,1-3H3
UniChem compound ID
32015684
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-HBM4EU-HB003515
1 reference
InChIKey
IRXDUBNENLKYTC-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003517
1 reference
InChIKey
IRXDUBNENLKYTC-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB004080
1 reference
InChIKey
IRXDUBNENLKYTC-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB004082
1 reference
InChIKey
IRXDUBNENLKYTC-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003516
1 reference
InChIKey
IRXDUBNENLKYTC-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB004081
1 reference
InChIKey
IRXDUBNENLKYTC-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
Human Metabolome Database ID
HMDB0035848
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IRXDUBNENLKYTC-UHFFFAOYSA-N
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