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(Q105299093)
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English
Reticulacinone
group of stereoisomers with the chemical formula C₃₅H₆₂O₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
594.4495543239999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₅H₆₂O₇
0 references
canonical SMILES
O=C1OC(C=C1CC(O)CCCCCCC(=O)CCCC(O)C2OC(CC2)C(O)CCCCCCCCCCCC)C
0 references
Identifiers
InChI
InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-16-21-31(38)33-23-24-34(42-33)32(39)22-17-20-29(36)18-14-12-13-15-19-30(37)26-28-25-27(2)41-35(28)40/h25,27,30-34,37-39H,3-24,26H2,1-2H3
0 references
InChIKey
VYMYUDBNVNOBII-UHFFFAOYSA-N
0 references
CAS Registry Number
155709-42-5
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
78385440
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VYMYUDBNVNOBII-UHFFFAOYSA-N
ChEBI ID
171856
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/c1-3-4-5-6-7-8-9-10-11-16-21-31(38)33-23-24-34(42-33)32(39)22-17-20-29(36)18-14-12-13-15-19-30(37)26-28-25-27(2)41-35(28)40/h25,27,30-34,37-39H,3-24,26H2,1-2H3
UniChem compound ID
32023611
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID501110188
1 reference
matched by identifier from
InChIKey
InChIKey
VYMYUDBNVNOBII-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0041213
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VYMYUDBNVNOBII-UHFFFAOYSA-N
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