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(Q104249106)
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English
Cannabielsoic acid A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
menthane monoterpenoids
0 references
mass
374.20932406
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₀O₅
0 references
canonical SMILES
O=C(O)C1=C(O)C2=C(OC3C2C(C(=C)C)CCC3(O)C)C=C1CCCCC
0 references
isomeric SMILES
C=C(C)[C@@H]1CC[C@](C)(O)[C@H]2Oc3cc(CCCCC)c(C(=O)O)c(O)c3[C@H]21
0 references
found in taxon
Cannabis sativa
1 reference
stated in
Constituents of Cannabis sativa L. XVII. A review of the natural constituents
Identifiers
InChI
InChI=1S/C22H30O5/c1-5-6-7-8-13-11-15-18(19(23)16(13)21(24)25)17-14(12(2)3)9-10-22(4,26)20(17)27-15/h11,14,17,20,23,26H,2,5-10H2,1,3-4H3,(H,24,25)/t14-,17+,20-,22-/m0/s1
0 references
InChIKey
OQCOBNKTUMOOHJ-RSGMMRJUSA-N
0 references
PubChem CID
59444405
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OQCOBNKTUMOOHJ-RSGMMRJUSA-N
SureChEMBL ID
SCHEMBL13214156
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OQCOBNKTUMOOHJ-RSGMMRJUSA-N
UniChem compound ID
55028112
1 reference
stated in
UniChem
Cannabis Database ID
000424
1 reference
stated in
Cannabis Database
UNII
B9KX89W42K
1 reference
matched by identifier from
InChIKey
InChIKey
OQCOBNKTUMOOHJ-RSGMMRJUSA-N
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