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English
Isotrichodermin
chemical compound
1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-yl acetate
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
292.167459248
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₄O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)OC1CC2(C)C3(CO3)C1OC1C=C(C)CCC21C
0 references
subject has role
metabolite
0 references
Identifiers
InChI
InChI=1S/C17H24O4/c1-10-5-6-15(3)13(7-10)21-14-12(20-11(2)18)8-16(15,4)17(14)9-19-17/h7,12-14H,5-6,8-9H2,1-4H3
0 references
InChIKey
OZXJPPYWZVBMGW-UHFFFAOYSA-N
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CAS Registry Number
91423-90-4
0 references
ChemSpider ID
110985
0 references
PubChem CID
14733836
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
OZXJPPYWZVBMGW-UHFFFAOYSA-N
UniChem compound ID
31999399
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60919740
0 references
DSSTOX compound identifier
DTXCID501348664
0 references
Human Metabolome Database ID
HMDB0034738
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OZXJPPYWZVBMGW-UHFFFAOYSA-N
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