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(Q104402439)
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English
Isoannoreticuin
group of stereoisomers with the chemical formula C₃₅H₆₄O₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
596.4652043879998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₅H₆₄O₇
0 references
canonical SMILES
O=C(C)CC1C(=O)OC(CCCCC(O)CCCCCC(O)C2OC(CC2)C(O)CCCCCCCCCCCC)C1
0 references
Identifiers
InChI
InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(37)19-16-17-20-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3
0 references
InChIKey
FGLYVGRJXTUDRE-UHFFFAOYSA-N
0 references
CAS Registry Number
142474-61-1
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
75052022
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
ChEBI ID
190797
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(37)19-16-17-20-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3
UniChem compound ID
31998419
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID301107363
1 reference
matched by identifier from
InChIKey
InChIKey
FGLYVGRJXTUDRE-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0039604
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FGLYVGRJXTUDRE-UHFFFAOYSA-N
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