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(Q83045745)
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Archangelin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
furanocoumarin
0 references
mass
338.151809184
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₂O₄
0 references
canonical SMILES
CC1=C(CCC(C1)(C)C)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4
0 references
found in taxon
Angelica glauca
1 reference
stated in
Furocoumarins from Angelica pachycarpa
Seseli
1 reference
stated in
Coumarins of Seseli krylovii
Seseli iliense
1 reference
stated in
Coumarins of the roots of Seseli iliense
Angelica archangelica
1 reference
stated in
Further Evidence for the Structure of Bianfugecine
Identifiers
InChI
InChI=1S/C21H22O4/c1-13-11-21(2,3)8-6-14(13)12-24-20-15-4-5-19(22)25-18(15)10-17-16(20)7-9-23-17/h4-5,7,9-10H,6,8,11-12H2,1-3H3
0 references
InChIKey
NETRCGJRLNZPCW-UHFFFAOYSA-N
0 references
CAS Registry Number
21174-75-4
1 reference
InChIKey
NETRCGJRLNZPCW-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=21174-75-4
PubChem CID
177156
1 reference
matched by identifier from
InChIKey
InChIKey
NETRCGJRLNZPCW-UHFFFAOYSA-N
ChEBI ID
174542
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H22O4/c1-13-11-21(2,3)8-6-14(13)12-24-20-15-4-5-19(22)25-18(15)10-17-16(20)7-9-23-17/h4-5,7,9-10H,6,8,11-12H2,1-3H3
UniChem compound ID
32020701
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50175414
1 reference
matched by identifier from
InChIKey
InChIKey
NETRCGJRLNZPCW-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID5097905
0 references
Human Metabolome Database ID
HMDB0030846
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NETRCGJRLNZPCW-UHFFFAOYSA-N
KNApSAcK ID
C00054289
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NETRCGJRLNZPCW-UHFFFAOYSA-N
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