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English
9-Oxoasimicinone
group of stereoisomers with the chemical formula C₃₇H₆₄O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
polyether polyketide
1 reference
inferred from
polyether polyketide
mass
636.460119008
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₇H₆₄O₈
0 references
canonical SMILES
O=C(C)CC1C(=O)OC(CCCCC(=O)CCCCCC(O)C2OC(CC2)C3OC(CC3)C(O)CCCCCCCCCC)C1
0 references
found in taxon
Annona muricata
1 reference
stated in
MALDI-TOF MS profiling of annonaceous acetogenins in Annona muricata products for human consumption
Annona squamosa
1 reference
stated in
Mono-THF ring annonaceous acetogenins from Annona squamosa
Identifiers
InChI
InChI=1S/C37H64O8/c1-3-4-5-6-7-8-9-12-19-31(40)33-21-23-35(44-33)36-24-22-34(45-36)32(41)20-13-10-11-16-29(39)17-14-15-18-30-26-28(25-27(2)38)37(42)43-30/h28,30-36,40-41H,3-26H2,1-2H3
0 references
InChIKey
RAOZBXBUMCJFNW-UHFFFAOYSA-N
0 references
PubChem CID
85143314
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RAOZBXBUMCJFNW-UHFFFAOYSA-N
ChEBI ID
191470
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C37H64O8/c1-3-4-5-6-7-8-9-12-19-31(40)33-21-23-35(44-33)36-24-22-34(45-36)32(41)20-13-10-11-16-29(39)17-14-15-18-30-26-28(25-27(2)38)37(42)43-30/h28,30-36,40-41H,3-26H2,1-2H3
UniChem compound ID
32014328
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0032949
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RAOZBXBUMCJFNW-UHFFFAOYSA-N
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