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(Q105004647)
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English
(3S,3aS,5S,10E,11aR)-5-hydroxy-3,10-dimethyl-6-methylidene-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
germacrane sesquiterpenoid
0 references
mass
250.156894564
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Herbolide H
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₃
0 references
canonical SMILES
O=C1OC2C=C(C)CCCC(=C)C(O)CC2C1C
0 references
isomeric SMILES
C=C1CCC/C(C)=C/[C@@H]2OC(=O)[C@@H](C)[C@@H]2C[C@@H]1O
0 references
found in taxon
Artemisia herba-alba
1 reference
stated in
Sesquiterpene lactones from Artemisia herba alba,
Identifiers
InChI
InChI=1S/C15H22O3/c1-9-5-4-6-10(2)13(16)8-12-11(3)15(17)18-14(12)7-9/h7,11-14,16H,2,4-6,8H2,1,3H3/b9-7+/t11-,12-,13-,14-/m0/s1
0 references
InChIKey
FYQPJEYDYRAGDR-XLEIUNHWSA-N
0 references
PubChem CID
163018091
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FYQPJEYDYRAGDR-XLEIUNHWSA-N
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