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(Q105166011)
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English
Squamolinone
group of stereoisomers with the chemical formula C₃₅H₆₂O₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
polyether polyketide
1 reference
inferred from
polyether polyketide
mass
594.449554324
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₅H₆₂O₇
0 references
canonical SMILES
O=C(C)CC1C(=O)OC(CCCCCCCCCCC(O)C2OC(CC2)C3OC(CC3)C(O)CCCCCCCC)C1
0 references
found in taxon
Annona squamosa
1 reference
stated in
Mono-THF ring annonaceous acetogenins from Annona squamosa
Identifiers
InChI
InChI=1S/C35H62O7/c1-3-4-5-6-12-15-18-29(37)31-20-22-33(41-31)34-23-21-32(42-34)30(38)19-16-13-10-8-7-9-11-14-17-28-25-27(24-26(2)36)35(39)40-28/h27-34,37-38H,3-25H2,1-2H3
0 references
InChIKey
MKIFKXKPNJUPLF-UHFFFAOYSA-N
0 references
PubChem CID
85143077
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
MKIFKXKPNJUPLF-UHFFFAOYSA-N
ChEBI ID
176183
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C35H62O7/c1-3-4-5-6-12-15-18-29(37)31-20-22-33(41-31)34-23-21-32(42-34)30(38)19-16-13-10-8-7-9-11-14-17-28-25-27(24-26(2)36)35(39)40-28/h27-34,37-38H,3-25H2,1-2H3
UniChem compound ID
32020581
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0035236
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MKIFKXKPNJUPLF-UHFFFAOYSA-N
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