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(Q104916343)
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English
CID 163097016
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
CID 163097015
1 reference
based on heuristic
inferred from SMILES
mass
346.178023932
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
CID 163097017
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₆O₅
0 references
canonical SMILES
O=C1OC2CC(C)C3(OC4(C=COC4)CC3)C5(C)CCC(=O)C1(C)C25
0 references
isomeric SMILES
C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)([C@@H]23)[C@@]12CC[C@]1(C=COC1)O2
0 references
found in taxon
Marrubium friwaldskyanum
1 reference
stated in
Preperegrinine, a prefuranic labdane diterpene from Marrubium friwaldskyanum
Marrubium thessalum
1 reference
stated in
Labdane diterpenes from Marrubium thessalum
Identifiers
InChI
InChI=1S/C20H26O5/c1-12-10-13-15-17(2,5-4-14(21)18(15,3)16(22)24-13)20(12)7-6-19(25-20)8-9-23-11-19/h8-9,12-13,15H,4-7,10-11H2,1-3H3/t12-,13-,15-,17+,18+,19-,20-/m1/s1
0 references
InChIKey
APJLGTWXFWPNFV-BXKVVQICSA-N
0 references
PubChem CID
163097016
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
APJLGTWXFWPNFV-BXKVVQICSA-N
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