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(Q82301365)
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English
4,6-Heptadecadiyne-3,9,10-triol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
fatty alcohol
0 references
mass
280.203844756
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Dihydropanaxacol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₈O₃
0 references
canonical SMILES
OC(C#CC#CCC(O)C(O)CCCCCCC)CC
0 references
isomeric SMILES
CC[C@H](O)C#CC#CC[C@@H](O)[C@H](O)CCCCCCC
0 references
found in taxon
Panax ginseng
1 reference
stated in
A new cytotoxic chlorine-containing polyacetylene from the callus of Panax ginseng.
Identifiers
InChI
InChI=1S/C17H28O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h15-20H,3-7,10,13-14H2,1-2H3/t15-,16+,17+/m0/s1
1 reference
based on heuristic
inferred from SMILES
InChIKey
ZEWGSHDZCDJZJF-UHFFFAOYSA-N
0 references
CAS Registry Number
113122-25-1
1 reference
InChIKey
ZEWGSHDZCDJZJF-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=113122-25-1
PubChem CID
11778432
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
ZEWGSHDZCDJZJF-UHFFFAOYSA-N
ChEBI ID
173997
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H28O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h15-20H,3-7,10,13-14H2,1-2H3/t15-,16+,17+/m0/s1
UniChem compound ID
32004259
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60472426
1 reference
matched by identifier from
InChIKey
InChIKey
ZEWGSHDZCDJZJF-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50423240
0 references
Human Metabolome Database ID
HMDB0032675
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZEWGSHDZCDJZJF-UHFFFAOYSA-N
LIPID MAPS ID
LMFA05000651
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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